CID 14177444

3c3bch

Structural Information

Molecular Formula
C19H33N
SMILES
CCCC1CCC(CC1)C2CCC(CC2)(CCC)C#N
InChI
InChI=1S/C19H33N/c1-3-5-16-6-8-17(9-7-16)18-10-13-19(15-20,12-4-2)14-11-18/h16-18H,3-14H2,1-2H3
InChIKey
GPWLCOKHVVAELA-UHFFFAOYSA-N
Compound name
1-propyl-4-(4-propylcyclohexyl)cyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

275.2613 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.268576 167.5
[M+Na]+ 298.250518 172.6
[M-H]- 274.254024 171.7
[M+NH4]+ 293.295123 183.9
[M+K]+ 314.224458 165.8
[M+H-H2O]+ 258.258560 154.7
[M+HCOO]- 320.259501 179.3
[M+CH3COO]- 334.275151 212.3
[M+Na-2H]- 296.235966 167.3
[M]+ 275.26075142 156.8
[M]- 275.26184858 156.8
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