CID 116170

64011-59-2

Structural Information

Molecular Formula
C18H34N2
SMILES
C1CCC(CC1)NC2CCC(CC2)NC3CCCCC3
InChI
InChI=1S/C18H34N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h15-20H,1-14H2
InChIKey
LVJGDHLHSRLNAH-UHFFFAOYSA-N
Compound name
1-N,4-N-dicyclohexylcyclohexane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.2722 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.27948 169.2
[M+Na]+ 301.26142 165.2
[M-H]- 277.26492 174.9
[M+NH4]+ 296.30602 182.9
[M+K]+ 317.23536 161.4
[M+H-H2O]+ 261.26946 159.8
[M+HCOO]- 323.27040 182.5
[M+CH3COO]- 337.28605 204.2
[M+Na-2H]- 299.24687 168.6
[M]+ 278.27165 153.1
[M]- 278.27275 153.1
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

No patent data available for this compound.