CID 43616735

Methyl 2-(prop-2-enamido)benzoate

Structural Information

Molecular Formula
C11H11NO3
SMILES
COC(=O)C1=CC=CC=C1NC(=O)C=C
InChI
InChI=1S/C11H11NO3/c1-3-10(13)12-9-7-5-4-6-8(9)11(14)15-2/h3-7H,1H2,2H3,(H,12,13)
InChIKey
UWPOXRRFZCQGRX-UHFFFAOYSA-N
Compound name
methyl 2-(prop-2-enoylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

205.0739 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 143.3
[M+Na]+ 228.06312 150.3
[M-H]- 204.06662 147.1
[M+NH4]+ 223.10772 161.9
[M+K]+ 244.03706 148.6
[M+H-H2O]+ 188.07116 137.0
[M+HCOO]- 250.07210 167.5
[M+CH3COO]- 264.08775 187.2
[M+Na-2H]- 226.04857 147.6
[M]+ 205.07335 144.3
[M]- 205.07445 144.3
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