CID 77059

Allylcyclopentane

Structural Information

Molecular Formula
C8H14
SMILES
C=CCC1CCCC1
InChI
InChI=1S/C8H14/c1-2-5-8-6-3-4-7-8/h2,8H,1,3-7H2
InChIKey
NHIDGVQVYHCGEK-UHFFFAOYSA-N
Compound name
prop-2-enylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

753
Patents

110.10955 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.11683 124.9
[M+Na]+ 133.09877 130.9
[M-H]- 109.10227 127.8
[M+NH4]+ 128.14337 149.3
[M+K]+ 149.07271 129.5
[M+H-H2O]+ 93.106810 120.0
[M+HCOO]- 155.10775 147.7
[M+CH3COO]- 169.12340 168.5
[M+Na-2H]- 131.08422 129.4
[M]+ 110.10900 121.5
[M]- 110.11010 121.5
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