CID 15157144

3-(prop-2-enamido)benzoic acid

Structural Information

Molecular Formula
C10H9NO3
SMILES
C=CC(=O)NC1=CC=CC(=C1)C(=O)O
InChI
InChI=1S/C10H9NO3/c1-2-9(12)11-8-5-3-4-7(6-8)10(13)14/h2-6H,1H2,(H,11,12)(H,13,14)
InChIKey
CQGQDOGZDYSFGS-UHFFFAOYSA-N
Compound name
3-(prop-2-enoylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

191.05824 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 139.1
[M+Na]+ 214.04746 146.0
[M-H]- 190.05096 141.6
[M+NH4]+ 209.09206 157.4
[M+K]+ 230.02140 143.6
[M+H-H2O]+ 174.05550 133.2
[M+HCOO]- 236.05644 162.1
[M+CH3COO]- 250.07209 182.4
[M+Na-2H]- 212.03291 143.4
[M]+ 191.05769 137.9
[M]- 191.05879 137.9
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