CID 258025

N-(4-isopropylphenyl)acetamide

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

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

InChI

InChI=1S/C11H15NO/c1-8(2)10-4-6-11(7-5-10)12-9(3)13/h4-8H,1-3H3,(H,12,13)

InChIKey

BQZWLSZGPBNHDA-UHFFFAOYSA-N

Compound name

N-(4-propan-2-ylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 394
Patents: 177.11537 Da
Monoisotopic Mass: 2.5
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]+	178.12265	139.7
[M+Na]+	200.10459	146.2
[M-H]-	176.10809	143.5
[M+NH4]+	195.14919	159.8
[M+K]+	216.07853	144.7
[M+H-H2O]+	160.11263	133.8
[M+HCOO]-	222.11357	163.1
[M+CH3COO]-	236.12922	185.5
[M+Na-2H]-	198.09004	143.9
[M]+	177.11482	139.4
[M]-	177.11592	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe