CID 132992795

3-(methoxycarbonyl)oxetane-3-carboxylic acid

Structural Information

Molecular Formula

C₆H₈O₅

SMILES

COC(=O)C1(COC1)C(=O)O

InChI

InChI=1S/C6H8O5/c1-10-5(9)6(4(7)8)2-11-3-6/h2-3H2,1H3,(H,7,8)

InChIKey

YXPKUUCPGGGSDI-UHFFFAOYSA-N

Compound name

3-methoxycarbonyloxetane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 160.03717 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]+	161.04445	133.6
[M+Na]+	183.02639	137.7
[M+NH4]+	178.07099	136.8
[M+K]+	199.00033	135.9
[M-H]-	159.02989	130.2
[M+Na-2H]-	181.01184	134.5
[M]+	160.03662	131.7
[M]-	160.03772	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe