CID 14178062

116020-37-2

Structural Information

Molecular Formula
C24H35N
SMILES
CCCC1CCC(CC1)C2CCC(CC2)CCC3=CC=C(C=C3)C#N
InChI
InChI=1S/C24H35N/c1-2-3-19-10-14-23(15-11-19)24-16-12-21(13-17-24)5-4-20-6-8-22(18-25)9-7-20/h6-9,19,21,23-24H,2-5,10-17H2,1H3
InChIKey
ZHDZFSWIWPZWCF-UHFFFAOYSA-N
Compound name
4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

337.27695 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.28423 185.1
[M+Na]+ 360.26617 189.3
[M-H]- 336.26967 190.7
[M+NH4]+ 355.31077 196.8
[M+K]+ 376.24011 180.1
[M+H-H2O]+ 320.27421 169.9
[M+HCOO]- 382.27515 196.2
[M+CH3COO]- 396.29080 223.2
[M+Na-2H]- 358.25162 182.4
[M]+ 337.27640 173.1
[M]- 337.27750 173.1
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