CID 10703415

179627-11-3

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

CNC(=O)C1=CC=C(C=C1)/C=C/C(=O)O

InChI

InChI=1S/C11H11NO3/c1-12-11(15)9-5-2-8(3-6-9)4-7-10(13)14/h2-7H,1H3,(H,12,15)(H,13,14)/b7-4+

InChIKey

DPBKEHKMLPTJFE-QPJJXVBHSA-N

Compound name

(E)-3-[4-(methylcarbamoyl)phenyl]prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 31
Patents: 205.0739 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.08118	145.3
[M+Na]+	228.06312	155.5
[M+NH4]+	223.10772	151.5
[M+K]+	244.03706	150.7
[M-H]-	204.06662	145.7
[M+Na-2H]-	226.04857	149.9
[M]+	205.07335	146.4
[M]-	205.07445	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe