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

675
Patents

143.05824 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.065516 129.3
[M+Na]+ 166.047458 135.4
[M-H]- 142.050964 128.3
[M+NH4]+ 161.092063 149.5
[M+K]+ 182.021398 135.2
[M+H-H2O]+ 126.055500 124.6
[M+HCOO]- 188.056441 150.9
[M+CH3COO]- 202.072091 174.5
[M+Na-2H]- 164.032906 132.2
[M]+ 143.05769142 127.9
[M]- 143.05878858 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