CID 24697593

41948-63-4

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

C=CC(=O)NC1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C11H11NO3/c1-2-10(13)12-9-5-3-8(4-6-9)7-11(14)15/h2-6H,1,7H2,(H,12,13)(H,14,15)

InChIKey

IVFRPHRPKVUJDZ-UHFFFAOYSA-N

Compound name

2-[4-(prop-2-enoylamino)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 205.0739 Da
Monoisotopic Mass: 1.2
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	145.2
[M+Na]+	228.06312	155.3
[M+NH4]+	223.10772	151.4
[M+K]+	244.03706	150.5
[M-H]-	204.06662	145.5
[M+Na-2H]-	226.04857	149.7
[M]+	205.07335	146.3
[M]-	205.07445	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe