PubChemLite - Ascorbyl glucoside (C12H18O11)

Structural Information

Molecular Formula

SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2=C([C@H](OC2=O)[C@H](CO)O)O)O)O)O)O

InChI

InChI=1S/C12H18O11/c13-1-3(15)9-8(19)10(11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12/h3-7,9,12-19H,1-2H2/t3-,4+,5+,6-,7+,9+,12+/m0/s1

InChIKey

MLSJBGYKDYSOAE-DCWMUDTNSA-N

Compound name

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-furan-5-one

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]+	339.09218	171.2
[M+Na]+	361.07412	175.4
[M+NH4]+	356.11872	171.9
[M+K]+	377.04806	180.4
[M-H]-	337.07762	168.9
[M+Na-2H]-	359.05957	165.9
[M]+	338.08435	170.2
[M]-	338.08545	170.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

339.09218

171.2

[M+Na]+

361.07412

175.4

[M+NH4]+

356.11872

171.9

[M+K]+

377.04806

180.4

[M-H]-

337.07762

168.9

[M+Na-2H]-

359.05957

165.9

[M]+

338.08435

170.2

[M]-

338.08545

170.2

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

Ascorbyl glucoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe