CID 171041140

Dtxsid401305213

Structural Information

Molecular Formula
C18H34
SMILES
CCCCCCCC(C1CCCC1)C2CCCC2
InChI
InChI=1S/C18H34/c1-2-3-4-5-6-15-18(16-11-7-8-12-16)17-13-9-10-14-17/h16-18H,2-15H2,1H3
InChIKey
LTUVADYVQNHSGF-UHFFFAOYSA-N
Compound name
1-cyclopentyloctylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.26605 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.27333 172.2
[M+Na]+ 273.25527 172.4
[M-H]- 249.25877 176.3
[M+NH4]+ 268.29987 192.1
[M+K]+ 289.22921 169.4
[M+H-H2O]+ 233.26331 165.0
[M+HCOO]- 295.26425 189.7
[M+CH3COO]- 309.27990 196.8
[M+Na-2H]- 271.24072 167.6
[M]+ 250.26550 167.7
[M]- 250.26660 167.7
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.