CID 126992592

Oxolan-3-yl 2-hydroxyacetate

Structural Information

Molecular Formula

C₆H₁₀O₄

SMILES

C1COCC1OC(=O)CO

InChI

InChI=1S/C6H10O4/c7-3-6(8)10-5-1-2-9-4-5/h5,7H,1-4H2

InChIKey

JJMANLLPONCORY-UHFFFAOYSA-N

Compound name

oxolan-3-yl 2-hydroxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 146.0579 Da
Monoisotopic Mass: -0.5
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]+	147.065176	128.3
[M+Na]+	169.047118	134.3
[M-H]-	145.050624	130.8
[M+NH4]+	164.091723	149.1
[M+K]+	185.021058	135.6
[M+H-H2O]+	129.055160	123.5
[M+HCOO]-	191.056101	149.3
[M+CH3COO]-	205.071751	167.8
[M+Na-2H]-	167.032566	133.2
[M]+	146.05735142	128.0
[M]-	146.05844858	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.