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 139.1
[M+Na]+ 219.06278 151.6
[M-H]- 195.06628 146.1
[M+NH4]+ 214.10738 159.5
[M+K]+ 235.03672 150.9
[M+H-H2O]+ 179.07082 137.1
[M+HCOO]- 241.07176 159.0
[M+CH3COO]- 255.08741 187.0
[M+Na-2H]- 217.04823 145.2
[M]+ 196.07301 146.8
[M]- 196.07411 146.8
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.