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

24
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 143.0
[M+Na]+ 228.06312 149.7
[M-H]- 204.06662 146.9
[M+NH4]+ 223.10772 161.5
[M+K]+ 244.03706 148.5
[M+H-H2O]+ 188.07116 136.9
[M+HCOO]- 250.07210 166.3
[M+CH3COO]- 264.08775 188.8
[M+Na-2H]- 226.04857 146.1
[M]+ 205.07335 143.5
[M]- 205.07445 143.5
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