CID 88064

N-acetyl-l-alanine

Structural Information

Molecular Formula
C5H9NO3
SMILES
C[C@@H](C(=O)O)NC(=O)C
InChI
InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKey
KTHDTJVBEPMMGL-VKHMYHEASA-N
Compound name
(2S)-2-acetamidopropanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

39
References

3987
Patents

131.05824 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 126.9
[M+Na]+ 154.04746 134.4
[M+NH4]+ 149.09206 132.8
[M+K]+ 170.02140 132.2
[M-H]- 130.05096 124.5
[M+Na-2H]- 152.03291 128.5
[M]+ 131.05769 126.7
[M]- 131.05879 126.7
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