CID 15431

Ethylcyclopentane

Structural Information

Molecular Formula
C7H14
SMILES
CCC1CCCC1
InChI
InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKey
IFTRQJLVEBNKJK-UHFFFAOYSA-N
Compound name
ethylcyclopentane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

20328
Patents

98.10955 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.116826 121.5
[M+Na]+ 121.09877 132.1
[M+NH4]+ 116.14337 131.7
[M+K]+ 137.07271 127.0
[M-H]- 97.102274 123.8
[M+Na-2H]- 119.08422 127.1
[M]+ 98.109001 123.5
[M]- 98.110099 123.5
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