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

97
Patents

142.147 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.154276 133.0
[M+Na]+ 165.136218 137.0
[M-H]- 141.139724 136.8
[M+NH4]+ 160.180823 154.3
[M+K]+ 181.110158 137.1
[M+H-H2O]+ 125.144260 126.9
[M+HCOO]- 187.145201 155.3
[M+CH3COO]- 201.160851 183.0
[M+Na-2H]- 163.121666 136.7
[M]+ 142.14645142 127.2
[M]- 142.14754858 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