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

14
Patents

191.05824 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 139.8
[M+Na]+ 214.04746 146.7
[M-H]- 190.05096 141.7
[M+NH4]+ 209.09206 157.9
[M+K]+ 230.02140 144.0
[M+H-H2O]+ 174.05550 133.9
[M+HCOO]- 236.05644 162.2
[M+CH3COO]- 250.07209 181.8
[M+Na-2H]- 212.03291 142.9
[M]+ 191.05769 137.6
[M]- 191.05879 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