CID 11275066

320778-92-5

Structural Information

Molecular Formula
C8H18N2
SMILES
CN(C)[C@@H]1CCCC[C@H]1N
InChI
InChI=1S/C8H18N2/c1-10(2)8-6-4-3-5-7(8)9/h7-8H,3-6,9H2,1-2H3/t7-,8-/m1/s1
InChIKey
FRDZGSBXKJXGNR-HTQZYQBOSA-N
Compound name
(1R,2R)-2-N,2-N-dimethylcyclohexane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

5991
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 133.0
[M+Na]+ 165.13622 137.0
[M-H]- 141.13972 136.8
[M+NH4]+ 160.18082 154.3
[M+K]+ 181.11016 137.1
[M+H-H2O]+ 125.14426 126.9
[M+HCOO]- 187.14520 155.3
[M+CH3COO]- 201.16085 183.0
[M+Na-2H]- 163.12167 136.7
[M]+ 142.14645 127.2
[M]- 142.14755 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe