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

187
Patents

239.1674 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.174676 158.4
[M+Na]+ 262.156618 165.9
[M-H]- 238.160124 163.1
[M+NH4]+ 257.201223 174.1
[M+K]+ 278.130558 159.0
[M+H-H2O]+ 222.164660 144.9
[M+HCOO]- 284.165601 174.5
[M+CH3COO]- 298.181251 205.5
[M+Na-2H]- 260.142066 160.3
[M]+ 239.16685142 149.7
[M]- 239.16794858 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