CID 19753583

4-cyclopropyloxane-2,6-dione

Structural Information

Molecular Formula
C8H10O3
SMILES
C1CC1C2CC(=O)OC(=O)C2
InChI
InChI=1S/C8H10O3/c9-7-3-6(5-1-2-5)4-8(10)11-7/h5-6H,1-4H2
InChIKey
IBMKPMVLCLESSR-UHFFFAOYSA-N
Compound name
4-cyclopropyloxane-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

154.06299 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 130.5
[M+Na]+ 177.05221 139.7
[M-H]- 153.05571 138.9
[M+NH4]+ 172.09681 145.6
[M+K]+ 193.02615 139.1
[M+H-H2O]+ 137.06025 124.4
[M+HCOO]- 199.06119 151.4
[M+CH3COO]- 213.07684 178.2
[M+Na-2H]- 175.03766 136.4
[M]+ 154.06244 131.5
[M]- 154.06354 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe