CID 28810191

(2e)-3-(4-carbamoylphenyl)prop-2-enoic acid

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1=CC(=CC=C1/C=C/C(=O)O)C(=O)N
InChI
InChI=1S/C10H9NO3/c11-10(14)8-4-1-7(2-5-8)3-6-9(12)13/h1-6H,(H2,11,14)(H,12,13)/b6-3+
InChIKey
CEIVMXMPBABKGI-ZZXKWVIFSA-N
Compound name
(E)-3-(4-carbamoylphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

191.05824 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 139.8
[M+Na]+ 214.047458 146.7
[M-H]- 190.050964 141.7
[M+NH4]+ 209.092063 157.9
[M+K]+ 230.021398 144.0
[M+H-H2O]+ 174.055500 133.9
[M+HCOO]- 236.056441 162.2
[M+CH3COO]- 250.072091 181.8
[M+Na-2H]- 212.032906 142.9
[M]+ 191.05769142 137.6
[M]- 191.05878858 137.6
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