CID 5004786

4-cyano-n-cyclopropylbenzamide

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

C1CC1NC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C11H10N2O/c12-7-8-1-3-9(4-2-8)11(14)13-10-5-6-10/h1-4,10H,5-6H2,(H,13,14)

InChIKey

MQJUAUJFLSEKMP-UHFFFAOYSA-N

Compound name

4-cyano-N-cyclopropylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 186.07932 Da
Monoisotopic Mass: 1.5
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]+	187.08660	138.4
[M+Na]+	209.06854	153.1
[M-H]-	185.07204	146.8
[M+NH4]+	204.11314	153.3
[M+K]+	225.04248	146.2
[M+H-H2O]+	169.07658	128.2
[M+HCOO]-	231.07752	161.3
[M+CH3COO]-	245.09317	198.9
[M+Na-2H]-	207.05399	145.6
[M]+	186.07877	136.5
[M]-	186.07987	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe