CID 283471

26961-99-9

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

CC(=O)N(C)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C10H11NO3/c1-7(12)11(2)9-5-3-8(4-6-9)10(13)14/h3-6H,1-2H3,(H,13,14)

InChIKey

WPHGIIWEXHFKHI-UHFFFAOYSA-N

Compound name

4-[acetyl(methyl)amino]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 193.0739 Da
Monoisotopic Mass: 0.5
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]+	194.08118	140.9
[M+Na]+	216.06312	151.4
[M+NH4]+	211.10772	147.8
[M+K]+	232.03706	147.5
[M-H]-	192.06662	141.9
[M+Na-2H]-	214.04857	146.2
[M]+	193.07335	142.3
[M]-	193.07445	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe