CID 14314662

119245-13-5

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

COC(=O)C12CCCC1O2

InChI

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

InChIKey

SZAQFDMOPZOEBX-UHFFFAOYSA-N

Compound name

methyl 6-oxabicyclo[3.1.0]hexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 142.06299 Da
Monoisotopic Mass: 0.5
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]+	143.07027	129.2
[M+Na]+	165.05221	139.2
[M-H]-	141.05571	135.4
[M+NH4]+	160.09681	149.1
[M+K]+	181.02615	139.6
[M+H-H2O]+	125.06025	125.2
[M+HCOO]-	187.06119	150.2
[M+CH3COO]-	201.07684	174.8
[M+Na-2H]-	163.03766	137.0
[M]+	142.06244	134.0
[M]-	142.06354	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe