CID 7009640

N-methyl-l-serine

Structural Information

Molecular Formula
C4H9NO3
SMILES
CN[C@@H](CO)C(=O)O
InChI
InChI=1S/C4H9NO3/c1-5-3(2-6)4(7)8/h3,5-6H,2H2,1H3,(H,7,8)/t3-/m0/s1
InChIKey
PSFABYLDRXJYID-VKHMYHEASA-N
Compound name
(2S)-3-hydroxy-2-(methylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

6157
Patents

119.05824 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.065516 123.4
[M+Na]+ 142.047458 129.4
[M-H]- 118.050964 121.1
[M+NH4]+ 137.092063 143.9
[M+K]+ 158.021398 129.5
[M+H-H2O]+ 102.055500 118.9
[M+HCOO]- 164.056441 144.7
[M+CH3COO]- 178.072091 167.5
[M+Na-2H]- 140.032906 128.0
[M]+ 119.05769142 121.5
[M]- 119.05878858 121.5
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