CID 36671

3-propylcyclopentene

Structural Information

Molecular Formula
C8H14
SMILES
CCCC1CCC=C1
InChI
InChI=1S/C8H14/c1-2-5-8-6-3-4-7-8/h3,6,8H,2,4-5,7H2,1H3
InChIKey
RBEROAUIKMEYDR-UHFFFAOYSA-N
Compound name
3-propylcyclopentene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

110.10955 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.11683 124.1
[M+Na]+ 133.09877 135.3
[M+NH4]+ 128.14337 134.1
[M+K]+ 149.07271 129.8
[M-H]- 109.10227 126.5
[M+Na-2H]- 131.08422 130.3
[M]+ 110.10900 126.3
[M]- 110.11010 126.3
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