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
2
Annotation Hits

0
References

130
Patents

211.1361 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.143376 150.5
[M+Na]+ 234.125318 158.9
[M-H]- 210.128824 155.6
[M+NH4]+ 229.169923 167.3
[M+K]+ 250.099258 152.4
[M+H-H2O]+ 194.133360 137.5
[M+HCOO]- 256.134301 167.3
[M+CH3COO]- 270.149951 200.1
[M+Na-2H]- 232.110766 153.5
[M]+ 211.13555142 141.2
[M]- 211.13664858 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