CID 84179

N,n,4-trimethylbenzamide

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

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

InChI

InChI=1S/C10H13NO/c1-8-4-6-9(7-5-8)10(12)11(2)3/h4-7H,1-3H3

InChIKey

ULKWBVNMJZUEBD-UHFFFAOYSA-N

Compound name

N,N,4-trimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1039
Patents: 163.09972 Da
Monoisotopic Mass: 1.0
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]+	164.10700	135.2
[M+Na]+	186.08894	147.6
[M+NH4]+	181.13354	144.1
[M+K]+	202.06288	141.6
[M-H]-	162.09244	138.3
[M+Na-2H]-	184.07439	142.5
[M]+	163.09917	137.8
[M]-	163.10027	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe