CID 13613754

5,6,7,8-tetrahydro-1h-cyclohepta[c]furan-1,3(4h)-dione

Structural Information

Molecular Formula
C9H10O3
SMILES
C1CCC2=C(CC1)C(=O)OC2=O
InChI
InChI=1S/C9H10O3/c10-8-6-4-2-1-3-5-7(6)9(11)12-8/h1-5H2
InChIKey
CVNJOSWQRUPTGE-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-4H-cyclohepta[c]furan-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

166.06299 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 127.8
[M+Na]+ 189.05221 134.0
[M-H]- 165.05571 134.0
[M+NH4]+ 184.09681 148.5
[M+K]+ 205.02615 136.7
[M+H-H2O]+ 149.06025 124.2
[M+HCOO]- 211.06119 148.0
[M+CH3COO]- 225.07684 178.5
[M+Na-2H]- 187.03766 133.2
[M]+ 166.06244 124.1
[M]- 166.06354 124.1
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