CID 131262755

2090250-86-3

Structural Information

Molecular Formula

C₉H₁₂O₃

SMILES

COC(=O)C1CC2(C1)CCC2=O

InChI

InChI=1S/C9H12O3/c1-12-8(11)6-4-9(5-6)3-2-7(9)10/h6H,2-5H2,1H3

InChIKey

QHPZKECBUYGCMW-UHFFFAOYSA-N

Compound name

methyl 7-oxospiro[3.3]heptane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.07864 Da
Monoisotopic Mass: 0.2
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]+	169.08592	142.1
[M+Na]+	191.06786	143.0
[M+NH4]+	186.11246	143.2
[M+K]+	207.04180	140.7
[M-H]-	167.07136	137.9
[M+Na-2H]-	189.05331	142.1
[M]+	168.07809	138.8
[M]-	168.07919	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.