CID 53249858

N1,n1-dimethylcyclohexane-1,3-diamine

Structural Information

Molecular Formula
C8H18N2
SMILES
CN(C)C1CCCC(C1)N
InChI
InChI=1S/C8H18N2/c1-10(2)8-5-3-4-7(9)6-8/h7-8H,3-6,9H2,1-2H3
InChIKey
KKGNWXHXFXNADS-UHFFFAOYSA-N
Compound name
1-N,1-N-dimethylcyclohexane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
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

No literature data available for this compound.

Patent stripe

patents stripe