CID 14573477

95906-34-6

Structural Information

Molecular Formula
C17H21N
SMILES
C=CCCC1CCC(CC1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C17H21N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h2,7-8,11-12,14,16H,1,3-6,9-10H2
InChIKey
QCTHAGCDRXAJND-UHFFFAOYSA-N
Compound name
4-(4-but-3-enylcyclohexyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

239.1674 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.17468 161.4
[M+Na]+ 262.15662 173.8
[M+NH4]+ 257.20122 167.1
[M+K]+ 278.13056 161.7
[M-H]- 238.16012 158.7
[M+Na-2H]- 260.14207 165.8
[M]+ 239.16685 161.6
[M]- 239.16795 161.6
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