CID 15701270

Bicyclo[2.2.1]hept-2-ene, 5-octyl-

Structural Information

Molecular Formula
C15H26
SMILES
CCCCCCCCC1CC2CC1C=C2
InChI
InChI=1S/C15H26/c1-2-3-4-5-6-7-8-14-11-13-9-10-15(14)12-13/h9-10,13-15H,2-8,11-12H2,1H3
InChIKey
GOLQZWYZZWIBCA-UHFFFAOYSA-N
Compound name
5-octylbicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2145
Patents

206.20345 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.21073 156.3
[M+Na]+ 229.19267 161.7
[M-H]- 205.19617 158.2
[M+NH4]+ 224.23727 180.7
[M+K]+ 245.16661 158.2
[M+H-H2O]+ 189.20071 151.1
[M+HCOO]- 251.20165 177.0
[M+CH3COO]- 265.21730 190.5
[M+Na-2H]- 227.17812 157.5
[M]+ 206.20290 157.9
[M]- 206.20400 157.9
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