CID 452303

N-methylcysteine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

63
References

5901
Patents

135.0354 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.04268 126.5
[M+Na]+ 158.02462 132.8
[M-H]- 134.02812 125.7
[M+NH4]+ 153.06922 147.6
[M+K]+ 173.99856 132.0
[M+H-H2O]+ 118.03266 121.6
[M+HCOO]- 180.03360 143.3
[M+CH3COO]- 194.04925 171.9
[M+Na-2H]- 156.01007 128.4
[M]+ 135.03485 127.1
[M]- 135.03595 127.1
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.