CID 3019023

3-amino-n-(isopropyl)benzamide

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

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

InChI

InChI=1S/C10H14N2O/c1-7(2)12-10(13)8-4-3-5-9(11)6-8/h3-7H,11H2,1-2H3,(H,12,13)

InChIKey

GYXJWWPQRQOJRM-UHFFFAOYSA-N

Compound name

3-amino-N-propan-2-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 61
Patents: 178.11061 Da
Monoisotopic Mass: 0.7
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]+	179.117886	140.1
[M+Na]+	201.099828	146.1
[M-H]-	177.103334	143.4
[M+NH4]+	196.144433	159.4
[M+K]+	217.073768	144.5
[M+H-H2O]+	161.107870	133.8
[M+HCOO]-	223.108811	164.2
[M+CH3COO]-	237.124461	186.8
[M+Na-2H]-	199.085276	144.0
[M]+	178.11006142	137.6
[M]-	178.11115858	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe