CID 6088923

3-phenyl-1-cyclooctene

Structural Information

Molecular Formula
C14H18
SMILES
C1CC/C=C\C(CC1)C2=CC=CC=C2
InChI
InChI=1S/C14H18/c1-2-5-9-13(10-6-3-1)14-11-7-4-8-12-14/h4-5,7-9,11-13H,1-3,6,10H2/b9-5-
InChIKey
YEUZDWLVCVNEAO-UITAMQMPSA-N
Compound name
(1Z)-3-phenylcyclooctene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

186.14085 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14813 144.6
[M+Na]+ 209.13007 148.5
[M-H]- 185.13357 147.4
[M+NH4]+ 204.17467 153.4
[M+K]+ 225.10401 148.1
[M+H-H2O]+ 169.13811 140.7
[M+HCOO]- 231.13905 154.2
[M+CH3COO]- 245.15470 149.8
[M+Na-2H]- 207.11552 145.9
[M]+ 186.14030 142.5
[M]- 186.14140 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe