CID 98977

Tetrahydro-1h-cyclopenta[c]furan-1,3(3ah)-dione

Structural Information

Molecular Formula
C7H8O3
SMILES
C1CC2C(C1)C(=O)OC2=O
InChI
InChI=1S/C7H8O3/c8-6-4-2-1-3-5(4)7(9)10-6/h4-5H,1-3H2
InChIKey
NMSRALOLNIBERV-UHFFFAOYSA-N
Compound name
4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

780
Patents

140.04735 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05463 125.0
[M+Na]+ 163.03657 133.8
[M-H]- 139.04007 130.3
[M+NH4]+ 158.08117 150.0
[M+K]+ 179.01051 133.7
[M+H-H2O]+ 123.04461 121.6
[M+HCOO]- 185.04555 147.3
[M+CH3COO]- 199.06120 170.9
[M+Na-2H]- 161.02202 129.4
[M]+ 140.04680 124.4
[M]- 140.04790 124.4
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