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

63
Patents

110.10955 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.116826 123.9
[M+Na]+ 133.098768 130.6
[M-H]- 109.102274 127.2
[M+NH4]+ 128.143373 148.5
[M+K]+ 149.072708 129.6
[M+H-H2O]+ 93.106810 119.0
[M+HCOO]- 155.107751 148.0
[M+CH3COO]- 169.123401 169.1
[M+Na-2H]- 131.084216 129.4
[M]+ 110.10900142 122.7
[M]- 110.11009858 122.7
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