CID 103366

65355-36-4

Structural Information

Molecular Formula
C18H31N
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C#N
InChI
InChI=1S/C18H31N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h15-18H,2-13H2,1H3
InChIKey
HWMHRQOJZXBQBL-UHFFFAOYSA-N
Compound name
4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

261.24564 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.25292 169.9
[M+Na]+ 284.23486 179.6
[M+NH4]+ 279.27946 175.5
[M+K]+ 300.20880 167.9
[M-H]- 260.23836 166.9
[M+Na-2H]- 282.22031 171.8
[M]+ 261.24509 169.5
[M]- 261.24619 169.5
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

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