CID 98298

10138-39-3

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: 10
Patents: 196.10994 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	197.11722	142.6
[M+Na]+	219.09916	154.6
[M+NH4]+	214.14376	151.2
[M+K]+	235.07310	150.9
[M-H]-	195.10266	151.6
[M+Na-2H]-	217.08461	147.6
[M]+	196.10939	147.8
[M]-	196.11049	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe