CID 2812495

Ccg-44905

Structural Information

Molecular Formula

C₁₃H₁₇ClN₂O

SMILES

C1CCC(CC1)C(=O)NNC2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H17ClN2O/c14-11-7-4-8-12(9-11)15-16-13(17)10-5-2-1-3-6-10/h4,7-10,15H,1-3,5-6H2,(H,16,17)

InChIKey

JJXLOUUHJTWKLK-UHFFFAOYSA-N

Compound name

N'-(3-chlorophenyl)cyclohexanecarbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 252.10294 Da
Monoisotopic Mass: 4.1
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]+	253.110216	156.9
[M+Na]+	275.092158	160.9
[M-H]-	251.095664	162.3
[M+NH4]+	270.136763	173.6
[M+K]+	291.066098	156.2
[M+H-H2O]+	235.100200	150.0
[M+HCOO]-	297.101141	174.2
[M+CH3COO]-	311.116791	196.1
[M+Na-2H]-	273.077606	160.7
[M]+	252.10239142	152.5
[M]-	252.10348858	152.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.