CID 165943793

Ethyl 3-hydroxyoxetane-3-carboxylate

Structural Information

Molecular Formula

C₆H₁₀O₄

SMILES

CCOC(=O)C1(COC1)O

InChI

InChI=1S/C6H10O4/c1-2-10-5(7)6(8)3-9-4-6/h8H,2-4H2,1H3

InChIKey

WTVYIHMXSVRGAL-UHFFFAOYSA-N

Compound name

ethyl 3-hydroxyoxetane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 146.0579 Da
Monoisotopic Mass: -0.7
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]+	147.06518	125.4
[M+Na]+	169.04712	131.0
[M-H]-	145.05062	128.5
[M+NH4]+	164.09172	140.1
[M+K]+	185.02106	135.8
[M+H-H2O]+	129.05516	116.8
[M+HCOO]-	191.05610	145.2
[M+CH3COO]-	205.07175	173.0
[M+Na-2H]-	167.03257	132.8
[M]+	146.05735	135.8
[M]-	146.05845	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.