CID 104697996

4-(n-methylprop-2-enamido)benzoic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
CN(C1=CC=C(C=C1)C(=O)O)C(=O)C=C
InChI
InChI=1S/C11H11NO3/c1-3-10(13)12(2)9-6-4-8(5-7-9)11(14)15/h3-7H,1H2,2H3,(H,14,15)
InChIKey
LBULAAWHGJBCJG-UHFFFAOYSA-N
Compound name
4-[methyl(prop-2-enoyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

205.0739 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 144.5
[M+Na]+ 228.06312 154.8
[M+NH4]+ 223.10772 150.9
[M+K]+ 244.03706 150.6
[M-H]- 204.06662 145.2
[M+Na-2H]- 226.04857 149.4
[M]+ 205.07335 145.8
[M]- 205.07445 145.8
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