CID 102953

Methyl tetrahydro-5-methyl-4-oxo-3-furoate

Structural Information

Molecular Formula
C7H10O4
SMILES
CC1C(=O)C(CO1)C(=O)OC
InChI
InChI=1S/C7H10O4/c1-4-6(8)5(3-11-4)7(9)10-2/h4-5H,3H2,1-2H3
InChIKey
WUAVQXXNANXZAV-UHFFFAOYSA-N
Compound name
methyl 5-methyl-4-oxooxolane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

158.0579 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.065176 129.0
[M+Na]+ 181.047118 137.3
[M-H]- 157.050624 133.6
[M+NH4]+ 176.091723 150.7
[M+K]+ 197.021058 138.6
[M+H-H2O]+ 141.055160 124.7
[M+HCOO]- 203.056101 151.4
[M+CH3COO]- 217.071751 175.0
[M+Na-2H]- 179.032566 132.8
[M]+ 158.05735142 131.1
[M]- 158.05844858 131.1
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