CID 84038399

2260932-62-3

Structural Information

Molecular Formula

C₅H₈O₄

SMILES

C1C(CO1)OCC(=O)O

InChI

InChI=1S/C5H8O4/c6-5(7)3-9-4-1-8-2-4/h4H,1-3H2,(H,6,7)

InChIKey

VJOOISXLQVEOTM-UHFFFAOYSA-N

Compound name

2-(oxetan-3-yloxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 132.04225 Da
Monoisotopic Mass: -0.6
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]+	133.049526	119.2
[M+Na]+	155.031468	124.3
[M-H]-	131.034974	122.0
[M+NH4]+	150.076073	132.3
[M+K]+	171.005408	129.2
[M+H-H2O]+	115.039510	109.2
[M+HCOO]-	177.040451	139.4
[M+CH3COO]-	191.056101	171.2
[M+Na-2H]-	153.016916	126.1
[M]+	132.04170142	128.9
[M]-	132.04279858	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe