CID 160645

3-mercaptolactic acid

Structural Information

Molecular Formula
C3H6O3S
SMILES
C(C(C(=O)O)O)S
InChI
InChI=1S/C3H6O3S/c4-2(1-7)3(5)6/h2,4,7H,1H2,(H,5,6)
InChIKey
OLQOVQTWRIJPRE-UHFFFAOYSA-N
Compound name
2-hydroxy-3-sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

253
Patents

122.00377 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.01105 122.6
[M+Na]+ 144.99299 130.8
[M+NH4]+ 140.03759 129.8
[M+K]+ 160.96693 126.3
[M-H]- 120.99649 120.2
[M+Na-2H]- 142.97844 124.0
[M]+ 122.00322 123.2
[M]- 122.00432 123.2
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