CID 103367

65355-37-5

Structural Information

Molecular Formula
C20H35N
SMILES
CCCCCCCC1CCC(CC1)C2CCC(CC2)C#N
InChI
InChI=1S/C20H35N/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(16-21)11-15-20/h17-20H,2-15H2,1H3
InChIKey
VNMUQCJCURWNKC-UHFFFAOYSA-N
Compound name
4-(4-heptylcyclohexyl)cyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

289.27695 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.28423 170.9
[M+Na]+ 312.26617 174.4
[M-H]- 288.26967 174.4
[M+NH4]+ 307.31077 184.8
[M+K]+ 328.24011 167.7
[M+H-H2O]+ 272.27421 157.2
[M+HCOO]- 334.27515 182.3
[M+CH3COO]- 348.29080 215.4
[M+Na-2H]- 310.25162 169.2
[M]+ 289.27640 160.1
[M]- 289.27750 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe