CID 13590399

3-cyano-n,n-dimethylbenzamide

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

CN(C)C(=O)C1=CC=CC(=C1)C#N

InChI

InChI=1S/C10H10N2O/c1-12(2)10(13)9-5-3-4-8(6-9)7-11/h3-6H,1-2H3

InChIKey

CQUOVARNSKZJGM-UHFFFAOYSA-N

Compound name

3-cyano-N,N-dimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 174.07932 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]+	175.086596	139.9
[M+Na]+	197.068538	149.2
[M-H]-	173.072044	144.5
[M+NH4]+	192.113143	158.4
[M+K]+	213.042478	147.6
[M+H-H2O]+	157.076580	127.2
[M+HCOO]-	219.077521	161.2
[M+CH3COO]-	233.093171	198.1
[M+Na-2H]-	195.053986	144.5
[M]+	174.07877142	135.7
[M]-	174.07986858	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe