CID 4139391

N-(2,4,5-trimethylphenyl)acetamide

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC1=CC(=C(C=C1C)NC(=O)C)C

InChI

InChI=1S/C11H15NO/c1-7-5-9(3)11(6-8(7)2)12-10(4)13/h5-6H,1-4H3,(H,12,13)

InChIKey

SWNMYEWTIFFJIV-UHFFFAOYSA-N

Compound name

N-(2,4,5-trimethylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 177.11537 Da
Monoisotopic Mass: 1.8
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	139.4
[M+Na]+	200.10459	152.2
[M+NH4]+	195.14919	147.9
[M+K]+	216.07853	145.8
[M-H]-	176.10809	142.3
[M+Na-2H]-	198.09004	145.8
[M]+	177.11482	142.0
[M]-	177.11592	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe