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

233
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 158.4
[M+Na]+ 262.15662 165.9
[M-H]- 238.16012 163.1
[M+NH4]+ 257.20122 174.1
[M+K]+ 278.13056 159.0
[M+H-H2O]+ 222.16466 144.9
[M+HCOO]- 284.16560 174.5
[M+CH3COO]- 298.18125 205.5
[M+Na-2H]- 260.14207 160.3
[M]+ 239.16685 149.7
[M]- 239.16795 149.7
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