CID 79323

5363-32-6

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CC(C)NC1=CC=CC=C1C(=O)N

InChI

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

InChIKey

HFZWIOMMCVHMSX-UHFFFAOYSA-N

Compound name

2-(propan-2-ylamino)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 178.11061 Da
Monoisotopic Mass: 2.1
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]+	179.117886	139.9
[M+Na]+	201.099828	145.8
[M-H]-	177.103334	143.1
[M+NH4]+	196.144433	159.1
[M+K]+	217.073768	144.1
[M+H-H2O]+	161.107870	133.6
[M+HCOO]-	223.108811	163.9
[M+CH3COO]-	237.124461	187.5
[M+Na-2H]-	199.085276	143.7
[M]+	178.11006142	137.4
[M]-	178.11115858	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe