CID 589378

Bicyclo[4.2.0]oct-1-ene, exo-7-(1-cyclohexen-1-yl)-

Structural Information

Molecular Formula
C14H20
SMILES
C1CCC(=CC1)C2CC3=CCCCC23
InChI
InChI=1S/C14H20/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)14/h6,8,13-14H,1-5,7,9-10H2
InChIKey
NPVYKYZPXWDAAW-UHFFFAOYSA-N
Compound name
7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.1565 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.163776 136.7
[M+Na]+ 211.145718 140.2
[M-H]- 187.149224 142.9
[M+NH4]+ 206.190323 150.8
[M+K]+ 227.119658 140.0
[M+H-H2O]+ 171.153760 125.4
[M+HCOO]- 233.154701 153.8
[M+CH3COO]- 247.170351 187.7
[M+Na-2H]- 209.131166 141.9
[M]+ 188.15595142 139.1
[M]- 188.15704858 139.1
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

No patent data available for this compound.