CID 273886

N,n'-dicyclohexyl-1,2-ethanediamine

Structural Information

Molecular Formula

C₁₄H₂₈N₂

SMILES

C1CCC(CC1)NCCNC2CCCCC2

InChI

InChI=1S/C14H28N2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h13-16H,1-12H2

InChIKey

JMRWVHXGVONXEZ-UHFFFAOYSA-N

Compound name

N,N'-dicyclohexylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 118
Patents: 224.22525 Da
Monoisotopic Mass: 3.0
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]+	225.23253	155.0
[M+Na]+	247.21447	153.5
[M-H]-	223.21797	158.7
[M+NH4]+	242.25907	171.4
[M+K]+	263.18841	150.8
[M+H-H2O]+	207.22251	146.8
[M+HCOO]-	269.22345	172.6
[M+CH3COO]-	283.23910	194.0
[M+Na-2H]-	245.19992	157.7
[M]+	224.22470	143.9
[M]-	224.22580	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe