CID 103365

65355-35-3

Structural Information

Molecular Formula
C16H27N
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C#N
InChI
InChI=1S/C16H27N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h13-16H,2-11H2,1H3
InChIKey
GPKWICXATIXXQY-UHFFFAOYSA-N
Compound name
4-(4-propylcyclohexyl)cyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

77
Patents

233.21436 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.22164 155.7
[M+Na]+ 256.20358 160.7
[M-H]- 232.20708 159.9
[M+NH4]+ 251.24818 171.7
[M+K]+ 272.17752 155.0
[M+H-H2O]+ 216.21162 142.7
[M+HCOO]- 278.21256 168.3
[M+CH3COO]- 292.22821 204.6
[M+Na-2H]- 254.18903 155.9
[M]+ 233.21381 143.7
[M]- 233.21491 143.7
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