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]+ 206.081176 143.0
[M+Na]+ 228.063118 149.7
[M-H]- 204.066624 146.9
[M+NH4]+ 223.107723 161.5
[M+K]+ 244.037058 148.5
[M+H-H2O]+ 188.071160 136.9
[M+HCOO]- 250.072101 166.3
[M+CH3COO]- 264.087751 188.8
[M+Na-2H]- 226.048566 146.1
[M]+ 205.07335142 143.5
[M]- 205.07444858 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