CID 13530954

Einecs 274-890-6

Structural Information

Molecular Formula
C15H25N
SMILES
CCC1CCC(CC1)C2CCC(CC2)C#N
InChI
InChI=1S/C15H25N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h12-15H,2-10H2,1H3
InChIKey
ZLHYETUWSWBIQD-UHFFFAOYSA-N
Compound name
4-(4-ethylcyclohexyl)cyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

219.1987 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.20598 151.8
[M+Na]+ 242.18792 157.3
[M-H]- 218.19142 156.2
[M+NH4]+ 237.23252 168.4
[M+K]+ 258.16186 151.8
[M+H-H2O]+ 202.19596 139.0
[M+HCOO]- 264.19690 164.7
[M+CH3COO]- 278.21255 201.9
[M+Na-2H]- 240.17337 152.6
[M]+ 219.19815 139.5
[M]- 219.19925 139.5
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