CID 13530955

Einecs 274-891-1

Structural Information

Molecular Formula
C17H29N
SMILES
CCCCC1CCC(CC1)C2CCC(CC2)C#N
InChI
InChI=1S/C17H29N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h14-17H,2-12H2,1H3
InChIKey
OATWNKBEABCVRD-UHFFFAOYSA-N
Compound name
4-(4-butylcyclohexyl)cyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

257
Patents

247.23 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.237276 159.5
[M+Na]+ 270.219218 164.2
[M-H]- 246.222724 163.5
[M+NH4]+ 265.263823 175.0
[M+K]+ 286.193158 158.2
[M+H-H2O]+ 230.227260 146.3
[M+HCOO]- 292.228201 171.8
[M+CH3COO]- 306.243851 207.3
[M+Na-2H]- 268.204666 159.3
[M]+ 247.22945142 147.8
[M]- 247.23054858 147.8
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