CID 21115383

(2s)-2-hydroxypropanethioic s-acid

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

22
Patents

106.00885 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.016126 117.6
[M+Na]+ 128.998068 125.2
[M-H]- 105.001574 117.2
[M+NH4]+ 124.042673 140.3
[M+K]+ 144.972008 125.0
[M+H-H2O]+ 89.006110 113.5
[M+HCOO]- 151.007051 133.9
[M+CH3COO]- 165.022701 164.1
[M+Na-2H]- 126.983516 119.7
[M]+ 106.00830142 118.8
[M]- 106.00939858 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