CID 2773863

896160-52-4

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃

SMILES

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

InChI

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

InChIKey

DKSNZGIASOHSLG-UHFFFAOYSA-N

Compound name

3-(dimethylcarbamoylamino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 208.0848 Da
Monoisotopic Mass: 1.3
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	144.6
[M+Na]+	231.07402	150.5
[M-H]-	207.07752	148.5
[M+NH4]+	226.11862	162.7
[M+K]+	247.04796	150.3
[M+H-H2O]+	191.08206	138.0
[M+HCOO]-	253.08300	169.0
[M+CH3COO]-	267.09865	191.1
[M+Na-2H]-	229.05947	148.4
[M]+	208.08425	144.5
[M]-	208.08535	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe