CID 350217

91880-51-2

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃

SMILES

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

InChI

InChI=1S/C10H12N2O3/c1-12(2)10(15)11-8-5-3-7(4-6-8)9(13)14/h3-6H,1-2H3,(H,11,15)(H,13,14)

InChIKey

IIWJGCYPFFTHDB-UHFFFAOYSA-N

Compound name

4-(dimethylcarbamoylamino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 208.0848 Da
Monoisotopic Mass: 1.0
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]+	209.09208	145.5
[M+Na]+	231.07402	154.6
[M+NH4]+	226.11862	151.8
[M+K]+	247.04796	151.2
[M-H]-	207.07752	146.6
[M+Na-2H]-	229.05947	150.3
[M]+	208.08425	146.6
[M]-	208.08535	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe