CID 303959

Ethyl 2-oxobicyclo[4.1.0]heptane-7-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

CCOC(=O)C1C2C1C(=O)CCC2

InChI

InChI=1S/C10H14O3/c1-2-13-10(12)9-6-4-3-5-7(11)8(6)9/h6,8-9H,2-5H2,1H3

InChIKey

CZSYBCSTFANLEL-UHFFFAOYSA-N

Compound name

ethyl 2-oxobicyclo[4.1.0]heptane-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 182.0943 Da
Monoisotopic Mass: 0.9
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]+	183.10158	138.8
[M+Na]+	205.08352	150.6
[M+NH4]+	200.12812	147.5
[M+K]+	221.05746	146.7
[M-H]-	181.08702	146.5
[M+Na-2H]-	203.06897	144.4
[M]+	182.09375	143.5
[M]-	182.09485	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe