CID 18724353

4-(trans-4-vinylcyclohexyl)benzonitrile

Structural Information

Molecular Formula
C15H17N
SMILES
C=CC1CCC(CC1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C15H17N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h2,5-6,9-10,12,14H,1,3-4,7-8H2
InChIKey
JHXJAWXZLWDDED-UHFFFAOYSA-N
Compound name
4-(4-ethenylcyclohexyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

211.1361 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.14338 150.5
[M+Na]+ 234.12532 158.9
[M-H]- 210.12882 155.6
[M+NH4]+ 229.16992 167.3
[M+K]+ 250.09926 152.4
[M+H-H2O]+ 194.13336 137.5
[M+HCOO]- 256.13430 167.3
[M+CH3COO]- 270.14995 200.1
[M+Na-2H]- 232.11077 153.5
[M]+ 211.13555 141.2
[M]- 211.13665 141.2
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