CID 3023761

Lithium 2-mercaptolactate

Structural Information

Molecular Formula
C3H6O3S
SMILES
CC(C(=O)O)(O)S
InChI
InChI=1S/C3H6O3S/c1-3(6,7)2(4)5/h6-7H,1H3,(H,4,5)
InChIKey
YAFIBTDNARUFOG-UHFFFAOYSA-N
Compound name
2-hydroxy-2-sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

122.00377 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.011046 121.6
[M+Na]+ 144.992988 129.4
[M-H]- 120.996494 119.9
[M+NH4]+ 140.037593 143.0
[M+K]+ 160.966928 128.5
[M+H-H2O]+ 105.001030 118.1
[M+HCOO]- 167.001971 136.2
[M+CH3COO]- 181.017621 162.8
[M+Na-2H]- 142.978436 125.2
[M]+ 122.00322142 122.5
[M]- 122.00431858 122.5
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