CID 643405

(3ar,6as)-3,3a,6,6a-tetrahydro-2h-cyclopenta[b]furan-2-one

Structural Information

Molecular Formula
C7H8O2
SMILES
C1C=C[C@@H]2[C@H]1OC(=O)C2
InChI
InChI=1S/C7H8O2/c8-7-4-5-2-1-3-6(5)9-7/h1-2,5-6H,3-4H2/t5-,6-/m0/s1
InChIKey
RYBPGUMSFWGGLP-WDSKDSINSA-N
Compound name
(3aR,6aS)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

106
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 121.9
[M+Na]+ 147.04165 130.6
[M-H]- 123.04515 127.2
[M+NH4]+ 142.08625 147.4
[M+K]+ 163.01559 130.6
[M+H-H2O]+ 107.04969 118.2
[M+HCOO]- 169.05063 145.3
[M+CH3COO]- 183.06628 168.2
[M+Na-2H]- 145.02710 127.8
[M]+ 124.05188 121.6
[M]- 124.05298 121.6
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