CID 519088

Cyclohexene, 1-octyl-

Structural Information

Molecular Formula
C14H26
SMILES
CCCCCCCCC1=CCCCC1
InChI
InChI=1S/C14H26/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h12H,2-11,13H2,1H3
InChIKey
AHNZGLABLPCXKB-UHFFFAOYSA-N
Compound name
1-octylcyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

194.20345 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.210726 150.5
[M+Na]+ 217.192668 153.7
[M-H]- 193.196174 152.4
[M+NH4]+ 212.237273 169.9
[M+K]+ 233.166608 151.1
[M+H-H2O]+ 177.200710 144.1
[M+HCOO]- 239.201651 170.5
[M+CH3COO]- 253.217301 187.4
[M+Na-2H]- 215.178116 154.1
[M]+ 194.20290142 149.4
[M]- 194.20399858 149.4
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