CID 13387417

65962-45-0

Structural Information

Molecular Formula
C17H34N2
SMILES
CC1CC(CC(C1N)C)CC2CC(C(C(C2)C)N)C
InChI
InChI=1S/C17H34N2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h10-17H,5-9,18-19H2,1-4H3
InChIKey
JHCBFGGESJQAIQ-UHFFFAOYSA-N
Compound name
4-[(4-amino-3,5-dimethylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3244
Patents

266.2722 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.27948 171.3
[M+Na]+ 289.26142 174.6
[M-H]- 265.26492 175.9
[M+NH4]+ 284.30602 187.7
[M+K]+ 305.23536 170.6
[M+H-H2O]+ 249.26946 164.5
[M+HCOO]- 311.27040 186.6
[M+CH3COO]- 325.28605 209.2
[M+Na-2H]- 287.24687 166.1
[M]+ 266.27165 161.8
[M]- 266.27275 161.8
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