CID 21115383

57965-30-7

Structural Information

Molecular Formula
C3H6O2S
SMILES
C[C@@H](C(=O)S)O
InChI
InChI=1S/C3H6O2S/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1
InChIKey
UKGVIOAJJOUOII-REOHCLBHSA-N
Compound name
(2S)-2-hydroxypropanethioic S-acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

106.00885 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.01613 117.6
[M+Na]+ 128.99807 125.2
[M-H]- 105.00157 117.2
[M+NH4]+ 124.04267 140.3
[M+K]+ 144.97201 125.0
[M+H-H2O]+ 89.006110 113.5
[M+HCOO]- 151.00705 133.9
[M+CH3COO]- 165.02270 164.1
[M+Na-2H]- 126.98352 119.7
[M]+ 106.00830 118.8
[M]- 106.00940 118.8
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