CID 78596

4883-34-5

Structural Information

Molecular Formula

C₂₀H₃₈N₂

SMILES

C1CCC(CC1)CNC2CCC(CC2)NCC3CCCCC3

InChI

InChI=1S/C20H38N2/c1-3-7-17(8-4-1)15-21-19-11-13-20(14-12-19)22-16-18-9-5-2-6-10-18/h17-22H,1-16H2

InChIKey

KGURNPZQKAMECK-UHFFFAOYSA-N

Compound name

1-N,4-N-bis(cyclohexylmethyl)cyclohexane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 306.3035 Da
Monoisotopic Mass: 5.4
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]+	307.31078	183.3
[M+Na]+	329.29272	190.4
[M+NH4]+	324.33732	192.5
[M+K]+	345.26666	181.5
[M-H]-	305.29622	190.7
[M+Na-2H]-	327.27817	188.4
[M]+	306.30295	186.0
[M]-	306.30405	186.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe