CID 5288725

N-methyl-l-alanine

Structural Information

Molecular Formula
C4H9NO2
SMILES
C[C@@H](C(=O)O)NC
InChI
InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1
InChIKey
GDFAOVXKHJXLEI-VKHMYHEASA-N
Compound name
(2S)-2-(methylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

37
References

15687
Patents

103.06333 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.070606 119.9
[M+Na]+ 126.052548 126.5
[M-H]- 102.056054 119.2
[M+NH4]+ 121.097153 142.0
[M+K]+ 142.026488 127.0
[M+H-H2O]+ 86.060590 115.6
[M+HCOO]- 148.061531 142.5
[M+CH3COO]- 162.077181 168.0
[M+Na-2H]- 124.037996 125.1
[M]+ 103.06278142 118.5
[M]- 103.06387858 118.5
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