CID 198287

1,5-dimethyl-3-methylene-4-oxo-6-oxabicyclo(3.1.0)hexane-2-carboxylic acid methyl ester

Structural Information

Molecular Formula
C10H12O4
SMILES
CC12C(C(=C)C(=O)C1(O2)C)C(=O)OC
InChI
InChI=1S/C10H12O4/c1-5-6(8(12)13-4)9(2)10(3,14-9)7(5)11/h6H,1H2,2-4H3
InChIKey
XSWYZUCUVCAOMP-UHFFFAOYSA-N
Compound name
methyl 1,5-dimethyl-3-methylidene-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.07356 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 143.6
[M+Na]+ 219.06278 155.1
[M+NH4]+ 214.10738 154.1
[M+K]+ 235.03672 150.8
[M-H]- 195.06628 151.6
[M+Na-2H]- 217.04823 150.2
[M]+ 196.07301 148.8
[M]- 196.07411 148.8
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

No patent data available for this compound.