CID 3858086

2-chloro-n-(1-cyanocyclohexyl)propanamide

Structural Information

Molecular Formula

C₁₀H₁₅ClN₂O

SMILES

CC(C(=O)NC1(CCCCC1)C#N)Cl

InChI

InChI=1S/C10H15ClN2O/c1-8(11)9(14)13-10(7-12)5-3-2-4-6-10/h8H,2-6H2,1H3,(H,13,14)

InChIKey

NORBIVAWQUKFIC-UHFFFAOYSA-N

Compound name

2-chloro-N-(1-cyanocyclohexyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.0873 Da
Monoisotopic Mass: 2.0
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]+	215.094576	149.1
[M+Na]+	237.076518	156.6
[M-H]-	213.080024	151.8
[M+NH4]+	232.121123	167.9
[M+K]+	253.050458	152.1
[M+H-H2O]+	197.084560	138.6
[M+HCOO]-	259.085501	161.4
[M+CH3COO]-	273.101151	198.7
[M+Na-2H]-	235.061966	152.2
[M]+	214.08675142	141.4
[M]-	214.08784858	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.