CID 5988

Sucrose

Structural Information

Molecular Formula
C12H22O11
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

compound 2d structure
11
Annotation Hits

78511
References

385218
Patents

342.1162 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12348 170.9
[M+Na]+ 365.10542 174.9
[M-H]- 341.10892 168.4
[M+NH4]+ 360.15002 179.9
[M+K]+ 381.07936 175.3
[M+H-H2O]+ 325.11346 167.1
[M+HCOO]- 387.11440 176.9
[M+CH3COO]- 401.13005 195.7
[M+Na-2H]- 363.09087 170.0
[M]+ 342.11565 169.4
[M]- 342.11675 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.