CID 11126247

38110-76-8

Structural Information

Molecular Formula
C7H8O2
SMILES
C1C=C[C@H]2[C@@H]1CC(=O)O2
InChI
InChI=1S/C7H8O2/c8-7-4-5-2-1-3-6(5)9-7/h1,3,5-6H,2,4H2/t5-,6-/m0/s1
InChIKey
VWOKDZDCDYTHCT-WDSKDSINSA-N
Compound name
(3aS,6aR)-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

124.05243 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.05971 122.3
[M+Na]+ 147.04165 132.6
[M+NH4]+ 142.08625 131.9
[M+K]+ 163.01559 131.0
[M-H]- 123.04515 124.8
[M+Na-2H]- 145.02710 125.8
[M]+ 124.05188 124.3
[M]- 124.05298 124.3
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