CID 81351

N,n,3-trimethylbenzamide

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

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

InChI

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

InChIKey

SWYVHBPXKKDGLL-UHFFFAOYSA-N

Compound name

N,N,3-trimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1883
Patents: 163.09972 Da
Monoisotopic Mass: 2.3
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]+	164.106996	134.2
[M+Na]+	186.088938	141.6
[M-H]-	162.092444	139.6
[M+NH4]+	181.133543	155.6
[M+K]+	202.062878	141.2
[M+H-H2O]+	146.096980	128.2
[M+HCOO]-	208.097921	159.5
[M+CH3COO]-	222.113571	185.1
[M+Na-2H]-	184.074386	139.6
[M]+	163.09917142	135.4
[M]-	163.10026858	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe