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

12866
Patents

142.147 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.