CID 9898840

151062-55-4

Structural Information

Molecular Formula
C4H9NO2S
SMILES
C[C@@](CS)(C(=O)O)N
InChI
InChI=1S/C4H9NO2S/c1-4(5,2-8)3(6)7/h8H,2,5H2,1H3,(H,6,7)/t4-/m1/s1
InChIKey
NZBONMFLYFGTAC-SCSAIBSYSA-N
Compound name
(2S)-2-amino-2-methyl-3-sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1444
Patents

135.0354 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.04268 128.1
[M+Na]+ 158.02462 135.6
[M+NH4]+ 153.06922 135.3
[M+K]+ 173.99856 131.1
[M-H]- 134.02812 126.3
[M+Na-2H]- 156.01007 129.8
[M]+ 135.03485 128.8
[M]- 135.03595 128.8
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