CID 345823

N,n-dimethyl-1,4-cyclohexanediamine

Structural Information

Molecular Formula
C8H18N2
SMILES
CN(C)C1CCC(CC1)N
InChI
InChI=1S/C8H18N2/c1-10(2)8-5-3-7(9)4-6-8/h7-8H,3-6,9H2,1-2H3
InChIKey
GNGZZWTXFNFCMU-UHFFFAOYSA-N
Compound name
4-N,4-N-dimethylcyclohexane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

785
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

literature stripe

Patent stripe

patents stripe