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
2
Annotation Hits

0
References

33
Patents

219.1987 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.205976 151.8
[M+Na]+ 242.187918 157.3
[M-H]- 218.191424 156.2
[M+NH4]+ 237.232523 168.4
[M+K]+ 258.161858 151.8
[M+H-H2O]+ 202.195960 139.0
[M+HCOO]- 264.196901 164.7
[M+CH3COO]- 278.212551 201.9
[M+Na-2H]- 240.173366 152.6
[M]+ 219.19815142 139.5
[M]- 219.19924858 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