CID 38082

4-amino-n-cyclopropylbenzamide

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

C1CC1NC(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C10H12N2O/c11-8-3-1-7(2-4-8)10(13)12-9-5-6-9/h1-4,9H,5-6,11H2,(H,12,13)

InChIKey

TZPIKGCQLFRHGR-UHFFFAOYSA-N

Compound name

4-amino-N-cyclopropylbenzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 98
Patents: 176.09496 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]+	177.10224	133.1
[M+Na]+	199.08418	141.5
[M-H]-	175.08768	140.5
[M+NH4]+	194.12878	147.8
[M+K]+	215.05812	138.0
[M+H-H2O]+	159.09222	126.6
[M+HCOO]-	221.09316	158.9
[M+CH3COO]-	235.10881	187.6
[M+Na-2H]-	197.06963	139.4
[M]+	176.09441	132.8
[M]-	176.09551	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe