CID 76247

2h-pyran-2,6(3h)-dione, dihydro-3,3-dimethyl-

Structural Information

Molecular Formula
C7H10O3
SMILES
CC1(CCC(=O)OC1=O)C
InChI
InChI=1S/C7H10O3/c1-7(2)4-3-5(8)10-6(7)9/h3-4H2,1-2H3
InChIKey
PAVNZLVXYJDFNR-UHFFFAOYSA-N
Compound name
3,3-dimethyloxane-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2060
Patents

142.06299 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 123.6
[M+Na]+ 165.05221 132.1
[M-H]- 141.05571 128.4
[M+NH4]+ 160.09681 146.2
[M+K]+ 181.02615 133.1
[M+H-H2O]+ 125.06025 119.7
[M+HCOO]- 187.06119 144.7
[M+CH3COO]- 201.07684 172.5
[M+Na-2H]- 163.03766 131.2
[M]+ 142.06244 123.3
[M]- 142.06354 123.3
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