PubChemLite - Sucrose (C12H22O11)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1

InChIKey

CZMRCDWAGMRECN-UGDNZRGBSA-N

Compound name

(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-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]+	343.12348	171.3
[M+Na]+	365.10542	174.3
[M+NH4]+	360.15002	173.4
[M+K]+	381.07936	177.5
[M-H]-	341.10892	168.6
[M+Na-2H]-	363.09087	166.9
[M]+	342.11565	170.1
[M]-	342.11675	170.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

343.12348

171.3

[M+Na]+

365.10542

174.3

[M+NH4]+

360.15002

173.4

[M+K]+

381.07936

177.5

[M-H]-

341.10892

168.6

[M+Na-2H]-

363.09087

166.9

[M]+

342.11565

170.1

[M]-

342.11675

170.1

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

Sucrose

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe