CID 165936816

Methyl 3-hydroxyoxetane-3-carboxylate

Structural Information

Molecular Formula

C₅H₈O₄

SMILES

COC(=O)C1(COC1)O

InChI

InChI=1S/C5H8O4/c1-8-4(6)5(7)2-9-3-5/h7H,2-3H2,1H3

InChIKey

AUTXDHULZLJQGX-UHFFFAOYSA-N

Compound name

methyl 3-hydroxyoxetane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 132.04225 Da
Monoisotopic Mass: -1.1
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]+	133.04953	120.6
[M+Na]+	155.03147	126.7
[M-H]-	131.03497	123.9
[M+NH4]+	150.07607	135.9
[M+K]+	171.00541	131.7
[M+H-H2O]+	115.03951	112.2
[M+HCOO]-	177.04045	140.8
[M+CH3COO]-	191.05610	170.1
[M+Na-2H]-	153.01692	128.6
[M]+	132.04170	130.7
[M]-	132.04280	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.