CID 13370220

Methyl 8-oxobicyclo[3.2.1]octane-3-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

COC(=O)C1CC2CCC(C1)C2=O

InChI

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

InChIKey

WMZCFOIZQHYOKP-UHFFFAOYSA-N

Compound name

methyl 8-oxobicyclo[3.2.1]octane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 182.0943 Da
Monoisotopic Mass: 0.8
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]+	183.10158	138.9
[M+Na]+	205.08352	147.9
[M+NH4]+	200.12812	147.5
[M+K]+	221.05746	144.6
[M-H]-	181.08702	138.8
[M+Na-2H]-	203.06897	139.9
[M]+	182.09375	139.8
[M]-	182.09485	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe