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

2969
Patents

135.0354 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.042676 126.9
[M+Na]+ 158.024618 133.8
[M-H]- 134.028124 125.7
[M+NH4]+ 153.069223 147.8
[M+K]+ 173.998558 132.6
[M+H-H2O]+ 118.032660 122.5
[M+HCOO]- 180.033601 142.6
[M+CH3COO]- 194.049251 170.6
[M+Na-2H]- 156.010066 129.6
[M]+ 135.03485142 126.6
[M]- 135.03594858 126.6
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