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]+	147.06518	128.3
[M+Na]+	169.04712	134.3
[M-H]-	145.05062	130.8
[M+NH4]+	164.09172	149.1
[M+K]+	185.02106	135.6
[M+H-H2O]+	129.05516	123.5
[M+HCOO]-	191.05610	149.3
[M+CH3COO]-	205.07175	167.8
[M+Na-2H]-	167.03257	133.2
[M]+	146.05735	128.0
[M]-	146.05845	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.