CID 63556415

2-(oxolan-3-yloxy)acetic acid

Structural Information

Molecular Formula

C₆H₁₀O₄

SMILES

C1COCC1OCC(=O)O

InChI

InChI=1S/C6H10O4/c7-6(8)4-10-5-1-2-9-3-5/h5H,1-4H2,(H,7,8)

InChIKey

ZZEMYDVVPYLDBT-UHFFFAOYSA-N

Compound name

2-(oxolan-3-yloxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 146.0579 Da
Monoisotopic Mass: -0.3
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	128.9
[M+Na]+	169.04712	137.2
[M+NH4]+	164.09172	136.0
[M+K]+	185.02106	135.9
[M-H]-	145.05062	129.3
[M+Na-2H]-	167.03257	131.2
[M]+	146.05735	129.7
[M]-	146.05845	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe