CID 21145406

3,6-anhydro-l-galactose

Structural Information

Molecular Formula
C6H10O5
SMILES
C1[C@@H]([C@H]([C@@H](O1)[C@@H](C=O)O)O)O
InChI
InChI=1S/C6H10O5/c7-1-3(8)6-5(10)4(9)2-11-6/h1,3-6,8-10H,2H2/t3-,4+,5-,6+/m1/s1
InChIKey
WZYRMLAWNVOIEX-MOJAZDJTSA-N
Compound name
(2S)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetaldehyde
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

2543
Patents

162.05283 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06011 130.9
[M+Na]+ 185.04205 137.7
[M-H]- 161.04555 131.2
[M+NH4]+ 180.08665 150.0
[M+K]+ 201.01599 137.6
[M+H-H2O]+ 145.05009 126.8
[M+HCOO]- 207.05103 149.0
[M+CH3COO]- 221.06668 168.2
[M+Na-2H]- 183.02750 133.6
[M]+ 162.05228 129.1
[M]- 162.05338 129.1
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