CID 204174

2-thioglyceraldehyde

Structural Information

Molecular Formula
C3H6O2S
SMILES
C(C(C=O)S)O
InChI
InChI=1S/C3H6O2S/c4-1-3(6)2-5/h1,3,5-6H,2H2
InChIKey
KFXMMDJTEXOROR-UHFFFAOYSA-N
Compound name
3-hydroxy-2-sulfanylpropanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

8
Patents

106.00885 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.01613 119.0
[M+Na]+ 128.99807 128.7
[M+NH4]+ 124.04267 127.3
[M+K]+ 144.97201 122.5
[M-H]- 105.00157 118.0
[M+Na-2H]- 126.98352 121.8
[M]+ 106.00830 120.3
[M]- 106.00940 120.3
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