CID 83366

N,n'-dicyclohexylhexane-1,6-diamine

Structural Information

Molecular Formula

C₁₈H₃₆N₂

SMILES

C1CCC(CC1)NCCCCCCNC2CCCCC2

InChI

InChI=1S/C18H36N2/c1(9-15-19-17-11-5-3-6-12-17)2-10-16-20-18-13-7-4-8-14-18/h17-20H,1-16H2

InChIKey

HWMMYAWUTCKNKH-UHFFFAOYSA-N

Compound name

N,N'-dicyclohexylhexane-1,6-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 345
Patents: 280.28784 Da
Monoisotopic Mass: 4.4
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]+	281.29512	176.0
[M+Na]+	303.27706	182.9
[M+NH4]+	298.32166	184.5
[M+K]+	319.25100	174.2
[M-H]-	279.28056	181.2
[M+Na-2H]-	301.26251	180.5
[M]+	280.28729	178.1
[M]-	280.28839	178.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe