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: 57
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]+	147.065176	128.1
[M+Na]+	169.047118	134.0
[M-H]-	145.050624	130.5
[M+NH4]+	164.091723	148.8
[M+K]+	185.021058	135.3
[M+H-H2O]+	129.055160	123.2
[M+HCOO]-	191.056101	149.0
[M+CH3COO]-	205.071751	168.5
[M+Na-2H]-	167.032566	133.0
[M]+	146.05735142	127.8
[M]-	146.05844858	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe