CID 15757502

Methyl 1-oxaspiro[2.3]hexane-5-carboxylate

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

COC(=O)C1CC2(C1)CO2

InChI

InChI=1S/C7H10O3/c1-9-6(8)5-2-7(3-5)4-10-7/h5H,2-4H2,1H3

InChIKey

ZUMWWUYGNLZBKS-UHFFFAOYSA-N

Compound name

methyl 1-oxaspiro[2.3]hexane-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 142.06299 Da
Monoisotopic Mass: 0.1
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]+	143.070266	125.1
[M+Na]+	165.052208	133.5
[M-H]-	141.055714	132.9
[M+NH4]+	160.096813	136.8
[M+K]+	181.026148	137.5
[M+H-H2O]+	125.060250	116.1
[M+HCOO]-	187.061191	145.6
[M+CH3COO]-	201.076841	179.0
[M+Na-2H]-	163.037656	133.4
[M]+	142.06244142	137.8
[M]-	142.06353858	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe