CID 98298

Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate

Structural Information

Molecular Formula
C11H16O3
SMILES
CC1CC2C(O2)CC1C(=O)OCC=C
InChI
InChI=1S/C11H16O3/c1-3-4-13-11(12)8-6-10-9(14-10)5-7(8)2/h3,7-10H,1,4-6H2,2H3
InChIKey
SZOBRFMKKNAYTL-UHFFFAOYSA-N
Compound name
prop-2-enyl 4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

196.10994 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.117216 144.4
[M+Na]+ 219.099158 153.2
[M-H]- 195.102664 150.2
[M+NH4]+ 214.143763 159.1
[M+K]+ 235.073098 151.7
[M+H-H2O]+ 179.107200 138.5
[M+HCOO]- 241.108141 162.9
[M+CH3COO]- 255.123791 188.5
[M+Na-2H]- 217.084606 149.1
[M]+ 196.10939142 148.4
[M]- 196.11048858 148.4
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