CID 13827

4-amino-2-mercaptobutyric acid

Structural Information

Molecular Formula
C4H9NO2S
SMILES
C(CN)C(C(=O)O)S
InChI
InChI=1S/C4H9NO2S/c5-2-1-3(8)4(6)7/h3,8H,1-2,5H2,(H,6,7)
InChIKey
KFSKBSQZHMNWEO-UHFFFAOYSA-N
Compound name
4-amino-2-sulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

135.0354 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.04268 127.2
[M+Na]+ 158.02462 134.6
[M+NH4]+ 153.06922 134.4
[M+K]+ 173.99856 129.7
[M-H]- 134.02812 125.8
[M+Na-2H]- 156.01007 128.6
[M]+ 135.03485 127.8
[M]- 135.03595 127.8
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

patents stripe