CID 77345

Vinylcyclopentane

Structural Information

Molecular Formula
C7H12
SMILES
C=CC1CCCC1
InChI
InChI=1S/C7H12/c1-2-7-5-3-4-6-7/h2,7H,1,3-6H2
InChIKey
BEFDCLMNVWHSGT-UHFFFAOYSA-N
Compound name
ethenylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22124
Patents

96.0939 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.101176 120.3
[M+Na]+ 119.08312 126.6
[M-H]- 95.086624 123.3
[M+NH4]+ 114.12772 145.2
[M+K]+ 135.05706 125.5
[M+H-H2O]+ 79.091160 115.5
[M+HCOO]- 141.09210 143.4
[M+CH3COO]- 155.10775 165.5
[M+Na-2H]- 117.06857 125.3
[M]+ 96.093351 116.5
[M]- 96.094449 116.5
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