CID 64174573

5-oxaspiro[2.5]octane-1-carboxylic acid

Structural Information

Molecular Formula

C₈H₁₂O₃

SMILES

C1CC2(CC2C(=O)O)COC1

InChI

InChI=1S/C8H12O3/c9-7(10)6-4-8(6)2-1-3-11-5-8/h6H,1-5H2,(H,9,10)

InChIKey

FGXIPZDQLVSHRH-UHFFFAOYSA-N

Compound name

5-oxaspiro[2.5]octane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 156.07864 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]+	157.08592	135.9
[M+Na]+	179.06786	147.5
[M+NH4]+	174.11246	146.1
[M+K]+	195.04180	142.7
[M-H]-	155.07136	145.6
[M+Na-2H]-	177.05331	143.8
[M]+	156.07809	141.4
[M]-	156.07919	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe