CID 5483

Tiopronin

Structural Information

Molecular Formula
C5H9NO3S
SMILES
CC(C(=O)NCC(=O)O)S
InChI
InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)
InChIKey
YTGJWQPHMWSCST-UHFFFAOYSA-N
Compound name
2-(2-sulfanylpropanoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1079
References

10649
Patents

163.03032 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03760 133.4
[M+Na]+ 186.01954 139.1
[M-H]- 162.02304 132.4
[M+NH4]+ 181.06414 153.1
[M+K]+ 201.99348 138.5
[M+H-H2O]+ 146.02758 128.2
[M+HCOO]- 208.02852 149.3
[M+CH3COO]- 222.04417 176.3
[M+Na-2H]- 184.00499 133.7
[M]+ 163.02977 134.4
[M]- 163.03087 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.