CID 24707572

N-benzyl-2-cyano-n-methylacetamide

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

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

InChI

InChI=1S/C11H12N2O/c1-13(11(14)7-8-12)9-10-5-3-2-4-6-10/h2-6H,7,9H2,1H3

InChIKey

ZFCMAYPKJGUUNJ-UHFFFAOYSA-N

Compound name

N-benzyl-2-cyano-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 188.09496 Da
Monoisotopic Mass: 1.1
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]+	189.10224	144.6
[M+Na]+	211.08418	152.6
[M-H]-	187.08768	148.6
[M+NH4]+	206.12878	162.3
[M+K]+	227.05812	150.6
[M+H-H2O]+	171.09222	131.4
[M+HCOO]-	233.09316	165.5
[M+CH3COO]-	247.10881	199.8
[M+Na-2H]-	209.06963	149.3
[M]+	188.09441	140.4
[M]-	188.09551	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe