CID 16270

Propylcyclopentane

Structural Information

Molecular Formula
C8H16
SMILES
CCCC1CCCC1
InChI
InChI=1S/C8H16/c1-2-5-8-6-3-4-7-8/h8H,2-7H2,1H3
InChIKey
KDIAMAVWIJYWHN-UHFFFAOYSA-N
Compound name
propylcyclopentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5967
Patents

112.1252 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.13248 126.0
[M+Na]+ 135.11442 136.4
[M+NH4]+ 130.15902 136.0
[M+K]+ 151.08836 131.0
[M-H]- 111.11792 128.3
[M+Na-2H]- 133.09987 131.3
[M]+ 112.12465 128.0
[M]- 112.12575 128.0
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