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

12
Patents

196.10994 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11722 144.4
[M+Na]+ 219.09916 153.2
[M-H]- 195.10266 150.2
[M+NH4]+ 214.14376 159.1
[M+K]+ 235.07310 151.7
[M+H-H2O]+ 179.10720 138.5
[M+HCOO]- 241.10814 162.9
[M+CH3COO]- 255.12379 188.5
[M+Na-2H]- 217.08461 149.1
[M]+ 196.10939 148.4
[M]- 196.11049 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