CID 5289354

1-hydroxy-1-thio-glycerol

Structural Information

Molecular Formula
C3H8O3S
SMILES
C([C@H](CSO)O)O
InChI
InChI=1S/C3H8O3S/c4-1-3(5)2-7-6/h3-6H,1-2H2/t3-/m1/s1
InChIKey
DLQCXFUWHQZWJQ-GSVOUGTGSA-N
Compound name
(2R)-3-hydroxysulfanylpropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

124.01942 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.02670 122.9
[M+Na]+ 147.00864 129.5
[M-H]- 123.01214 119.4
[M+NH4]+ 142.05324 143.4
[M+K]+ 162.98258 127.9
[M+H-H2O]+ 107.01668 118.8
[M+HCOO]- 169.01762 137.2
[M+CH3COO]- 183.03327 161.0
[M+Na-2H]- 144.99409 125.2
[M]+ 124.01887 123.0
[M]- 124.01997 123.0
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