CID 213718

Tai 241

Structural Information

Molecular Formula

C₁₆H₂₀ClNO

SMILES

C1CCC(CC1)C2=C(C=C(C=C2)C3(CC3)C(=O)N)Cl

InChI

InChI=1S/C16H20ClNO/c17-14-10-12(16(8-9-16)15(18)19)6-7-13(14)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H2,18,19)

InChIKey

YFZNRBBOKWZYEL-UHFFFAOYSA-N

Compound name

1-(3-chloro-4-cyclohexylphenyl)cyclopropane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 277.12335 Da
Monoisotopic Mass: 4.2
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]+	278.130626	158.7
[M+Na]+	300.112568	165.7
[M-H]-	276.116074	167.6
[M+NH4]+	295.157173	171.9
[M+K]+	316.086508	161.0
[M+H-H2O]+	260.120610	152.7
[M+HCOO]-	322.121551	174.0
[M+CH3COO]-	336.137201	201.9
[M+Na-2H]-	298.098016	160.9
[M]+	277.12280142	157.4
[M]-	277.12389858	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe