CID 240000

N-acryloylalanine

Structural Information

Molecular Formula
C6H9NO3
SMILES
CC(C(=O)O)NC(=O)C=C
InChI
InChI=1S/C6H9NO3/c1-3-5(8)7-4(2)6(9)10/h3-4H,1H2,2H3,(H,7,8)(H,9,10)
InChIKey
PPRBGMXQDAMDAB-UHFFFAOYSA-N
Compound name
2-(prop-2-enoylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

349
Patents

143.05824 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 129.3
[M+Na]+ 166.04746 135.4
[M-H]- 142.05096 128.3
[M+NH4]+ 161.09206 149.5
[M+K]+ 182.02140 135.2
[M+H-H2O]+ 126.05550 124.6
[M+HCOO]- 188.05644 150.9
[M+CH3COO]- 202.07209 174.5
[M+Na-2H]- 164.03291 132.2
[M]+ 143.05769 127.9
[M]- 143.05879 127.9
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

patents stripe