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: 1943
Patents: 206.20345 Da
Monoisotopic Mass: 6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	207.21073	152.8
[M+Na]+	229.19267	161.9
[M+NH4]+	224.23727	162.6
[M+K]+	245.16661	156.8
[M-H]-	205.19617	154.1
[M+Na-2H]-	227.17812	154.5
[M]+	206.20290	154.3
[M]-	206.20400	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe