CID 62315313

332883-96-2

Structural Information

Molecular Formula

C₁₁H₁₇N₃

SMILES

C1CC(CCC1N)NC2=CC=CC=N2

InChI

InChI=1S/C11H17N3/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h1-3,8-10H,4-7,12H2,(H,13,14)

InChIKey

QQJKATBTUNOFBF-UHFFFAOYSA-N

Compound name

4-N-pyridin-2-ylcyclohexane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 191.14224 Da
Monoisotopic Mass: 1.6
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]+	192.14952	142.2
[M+Na]+	214.13146	146.3
[M-H]-	190.13496	146.2
[M+NH4]+	209.17606	159.1
[M+K]+	230.10540	143.1
[M+H-H2O]+	174.13950	134.0
[M+HCOO]-	236.14044	163.5
[M+CH3COO]-	250.15609	186.9
[M+Na-2H]-	212.11691	148.1
[M]+	191.14169	134.5
[M]-	191.14279	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe