CID 13065897

72229-08-4

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

CCOC(=O)C1C2C1OCCC2

InChI

InChI=1S/C9H14O3/c1-2-11-9(10)7-6-4-3-5-12-8(6)7/h6-8H,2-5H2,1H3

InChIKey

VWTGCGVIXDXFTO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 170.0943 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]+	171.10158	136.2
[M+Na]+	193.08352	148.2
[M+NH4]+	188.12812	145.3
[M+K]+	209.05746	144.7
[M-H]-	169.08702	145.4
[M+Na-2H]-	191.06897	141.9
[M]+	170.09375	141.5
[M]-	170.09485	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe