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]+ 248.23728 159.5
[M+Na]+ 270.21922 164.2
[M-H]- 246.22272 163.5
[M+NH4]+ 265.26382 175.0
[M+K]+ 286.19316 158.2
[M+H-H2O]+ 230.22726 146.3
[M+HCOO]- 292.22820 171.8
[M+CH3COO]- 306.24385 207.3
[M+Na-2H]- 268.20467 159.3
[M]+ 247.22945 147.8
[M]- 247.23055 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