CID 61286942

4-(oxan-4-yloxy)butanoic acid

Structural Information

Molecular Formula

C₉H₁₆O₄

SMILES

C1COCCC1OCCCC(=O)O

InChI

InChI=1S/C9H16O4/c10-9(11)2-1-5-13-8-3-6-12-7-4-8/h8H,1-7H2,(H,10,11)

InChIKey

YCNUCQZUBKJRSF-UHFFFAOYSA-N

Compound name

4-(oxan-4-yloxy)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.10486 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]+	189.11214	141.5
[M+Na]+	211.09408	150.3
[M+NH4]+	206.13868	148.3
[M+K]+	227.06802	146.2
[M-H]-	187.09758	142.6
[M+Na-2H]-	209.07953	144.1
[M]+	188.10431	142.6
[M]-	188.10541	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.