CID 22103755

N-methyl-1-phenylcyclopropane-1-carboxamide

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CNC(=O)C1(CC1)C2=CC=CC=C2

InChI

InChI=1S/C11H13NO/c1-12-10(13)11(7-8-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)

InChIKey

CJXWNXYLKIDVBP-UHFFFAOYSA-N

Compound name

N-methyl-1-phenylcyclopropane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 175.09972 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]+	176.106996	136.4
[M+Na]+	198.088938	144.9
[M-H]-	174.092444	144.3
[M+NH4]+	193.133543	153.3
[M+K]+	214.062878	143.0
[M+H-H2O]+	158.096980	130.7
[M+HCOO]-	220.097921	161.1
[M+CH3COO]-	234.113571	184.8
[M+Na-2H]-	196.074386	144.3
[M]+	175.09917142	138.0
[M]-	175.10026858	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe