CID 2733821

68737-65-5

Structural Information

Molecular Formula

C₈H₁₈N₂

SMILES

CN[C@@H]1CCCC[C@H]1NC

InChI

InChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1

InChIKey

JRHPOFJADXHYBR-HTQZYQBOSA-N

Compound name

(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 12899
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]+	143.15428	132.2
[M+Na]+	165.13622	136.1
[M-H]-	141.13972	135.1
[M+NH4]+	160.18082	153.2
[M+K]+	181.11016	135.1
[M+H-H2O]+	125.14426	126.3
[M+HCOO]-	187.14520	154.7
[M+CH3COO]-	201.16085	180.2
[M+Na-2H]-	163.12167	137.8
[M]+	142.14645	126.3
[M]-	142.14755	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe