CID 29145

Mecysteine

Structural Information

Molecular Formula
C4H9NO2S
SMILES
COC(=O)[C@H](CS)N
InChI
InChI=1S/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3/t3-/m0/s1
InChIKey
MCYHPZGUONZRGO-VKHMYHEASA-N
Compound name
methyl (2R)-2-amino-3-sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

141
References

4691
Patents

135.0354 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.04268 127.3
[M+Na]+ 158.02462 135.3
[M+NH4]+ 153.06922 134.9
[M+K]+ 173.99856 130.1
[M-H]- 134.02812 126.5
[M+Na-2H]- 156.01007 129.3
[M]+ 135.03485 128.3
[M]- 135.03595 128.3
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