PubChemLite - Isomalt (C12H24O11)

Structural Information

Molecular Formula

SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H](C(CO)O)O)O)O)O)O)O)O

InChI

InChI=1S/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2/t4?,5-,6-,7-,8-,9-,10+,11-,12+/m1/s1

InChIKey

SERLAGPUMNYUCK-BLEZHGCXSA-N

Compound name

(3R,4R,5R)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol

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]+	345.13915	173.3
[M+Na]+	367.12109	173.3
[M-H]-	343.12459	164.5
[M+NH4]+	362.16569	178.4
[M+K]+	383.09503	174.6
[M+H-H2O]+	327.12913	167.3
[M+HCOO]-	389.13007	176.0
[M+CH3COO]-	403.14572	196.9
[M+Na-2H]-	365.10654	167.2
[M]+	344.13132	169.3
[M]-	344.13242	169.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

345.13915

173.3

[M+Na]+

367.12109

173.3

[M-H]-

343.12459

164.5

[M+NH4]+

362.16569

178.4

[M+K]+

383.09503

174.6

[M+H-H2O]+

327.12913

167.3

[M+HCOO]-

389.13007

176.0

[M+CH3COO]-

403.14572

196.9

[M+Na-2H]-

365.10654

167.2

[M]+

344.13132

169.3

[M]-

344.13242

169.3

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

Isomalt

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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