CID 21170

N-mesitylacetamide

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C)C

InChI

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

InChIKey

LQWWZVZGPVVZOB-UHFFFAOYSA-N

Compound name

N-(2,4,6-trimethylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 105
Patents: 177.11537 Da
Monoisotopic Mass: 1.4
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	138.0
[M+Na]+	200.10459	146.7
[M-H]-	176.10809	142.5
[M+NH4]+	195.14919	158.8
[M+K]+	216.07853	144.8
[M+H-H2O]+	160.11263	132.6
[M+HCOO]-	222.11357	162.4
[M+CH3COO]-	236.12922	187.0
[M+Na-2H]-	198.09004	142.2
[M]+	177.11482	139.1
[M]-	177.11592	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe