CID 301115

1,1-dicyclopentylethane

Structural Information

Molecular Formula
C12H22
SMILES
CC(C1CCCC1)C2CCCC2
InChI
InChI=1S/C12H22/c1-10(11-6-2-3-7-11)12-8-4-5-9-12/h10-12H,2-9H2,1H3
InChIKey
XWKIKXOZAGBKSO-UHFFFAOYSA-N
Compound name
1-cyclopentylethylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

166.17215 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.179426 144.8
[M+Na]+ 189.161368 147.6
[M-H]- 165.164874 150.0
[M+NH4]+ 184.205973 168.1
[M+K]+ 205.135308 146.1
[M+H-H2O]+ 149.169410 138.7
[M+HCOO]- 211.170351 164.4
[M+CH3COO]- 225.186001 179.0
[M+Na-2H]- 187.146816 143.5
[M]+ 166.17160142 138.2
[M]- 166.17269858 138.2
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