CID 15942827

Dianhydrogalactitol

Structural Information

Molecular Formula
C6H10O4
SMILES
C1[C@@H](O1)[C@@H]([C@@H]([C@@H]2CO2)O)O
InChI
InChI=1S/C6H10O4/c7-5(3-1-9-3)6(8)4-2-10-4/h3-8H,1-2H2/t3-,4+,5+,6-
InChIKey
AAFJXZWCNVJTMK-GUCUJZIJSA-N
Compound name
(1S,2R)-1-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

118
References

2355
Patents

146.0579 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.065176 135.0
[M+Na]+ 169.047118 142.1
[M-H]- 145.050624 141.5
[M+NH4]+ 164.091723 141.5
[M+K]+ 185.021058 143.3
[M+H-H2O]+ 129.055160 129.0
[M+HCOO]- 191.056101 150.7
[M+CH3COO]- 205.071751 183.7
[M+Na-2H]- 167.032566 139.8
[M]+ 146.05735142 139.9
[M]- 146.05844858 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe