CID 139019980

2361698-60-2

Structural Information

Molecular Formula

C₈H₁₈N₂

SMILES

CC1(CCC(CC1)NC)N

InChI

InChI=1S/C8H18N2/c1-8(9)5-3-7(10-2)4-6-8/h7,10H,3-6,9H2,1-2H3

InChIKey

VDKOKOGDYRHULH-UHFFFAOYSA-N

Compound name

4-N,1-dimethylcyclohexane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 142.147 Da
Monoisotopic Mass: 0.4
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]+	143.154276	132.0
[M+Na]+	165.136218	136.9
[M-H]-	141.139724	134.7
[M+NH4]+	160.180823	154.7
[M+K]+	181.110158	135.7
[M+H-H2O]+	125.144260	127.1
[M+HCOO]-	187.145201	153.9
[M+CH3COO]-	201.160851	179.1
[M+Na-2H]-	163.121666	137.6
[M]+	142.14645142	125.3
[M]-	142.14754858	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe