PubChemLite - 69227-93-6 (C24H46O11)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O

InChI

InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1

InChIKey

NLEBIOOXCVAHBD-QKMCSOCLSA-N

Compound name

(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-dodecoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	511.31130	223.7
[M+Na]+	533.29324	222.1
[M-H]-	509.29674	220.1
[M+NH4]+	528.33784	223.0
[M+K]+	549.26718	221.6
[M+H-H2O]+	493.30128	215.3
[M+HCOO]-	555.30222	225.2
[M+CH3COO]-	569.31787	235.0
[M+Na-2H]-	531.27869	216.2
[M]+	510.30347	225.9
[M]-	510.30457	225.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

511.31130

223.7

[M+Na]+

533.29324

222.1

[M-H]-

509.29674

220.1

[M+NH4]+

528.33784

223.0

[M+K]+

549.26718

221.6

[M+H-H2O]+

493.30128

215.3

[M+HCOO]-

555.30222

225.2

[M+CH3COO]-

569.31787

235.0

[M+Na-2H]-

531.27869

216.2

[M]+

510.30347

225.9

[M]-

510.30457

225.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

69227-93-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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