CID 20835

2-(4-cyclohexenyl)bicyclo(2.2.1)hept-5-ene

Structural Information

Molecular Formula
C13H18
SMILES
C1CC(CC=C1)C2CC3CC2C=C3
InChI
InChI=1S/C13H18/c1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h1-2,6-7,10-13H,3-5,8-9H2
InChIKey
KKCXDWJDGRCIAB-UHFFFAOYSA-N
Compound name
5-cyclohex-3-en-1-ylbicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

174.14085 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.14813 141.3
[M+Na]+ 197.13007 146.9
[M-H]- 173.13357 146.7
[M+NH4]+ 192.17467 166.4
[M+K]+ 213.10401 143.5
[M+H-H2O]+ 157.13811 135.9
[M+HCOO]- 219.13905 161.5
[M+CH3COO]- 233.15470 154.2
[M+Na-2H]- 195.11552 143.7
[M]+ 174.14030 136.9
[M]- 174.14140 136.9
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