CID 12980882

2077-91-0

Structural Information

Molecular Formula

C₈H₁₈N₂

SMILES

CNC1CCCC(C1)NC

InChI

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

InChIKey

YDFDTKKXMZRNHR-UHFFFAOYSA-N

Compound name

1-N,3-N-dimethylcyclohexane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1822
Patents: 142.147 Da
Monoisotopic Mass: 0.7
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	132.2
[M+Na]+	165.136218	136.1
[M-H]-	141.139724	135.1
[M+NH4]+	160.180823	153.2
[M+K]+	181.110158	135.1
[M+H-H2O]+	125.144260	126.3
[M+HCOO]-	187.145201	154.7
[M+CH3COO]-	201.160851	180.2
[M+Na-2H]-	163.121666	137.8
[M]+	142.14645142	126.3
[M]-	142.14754858	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe