CID 130585198

1865165-94-1

Structural Information

Molecular Formula

C₈H₁₂O₄

SMILES

C1CC2(CCOC2)OC1C(=O)O

InChI

InChI=1S/C8H12O4/c9-7(10)6-1-2-8(12-6)3-4-11-5-8/h6H,1-5H2,(H,9,10)

InChIKey

OEHRNMNROLFJSB-UHFFFAOYSA-N

Compound name

1,7-dioxaspiro[4.4]nonane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 172.07356 Da
Monoisotopic Mass: 0.1
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]+	173.08084	135.7
[M+Na]+	195.06278	143.2
[M+NH4]+	190.10738	144.7
[M+K]+	211.03672	142.2
[M-H]-	171.06628	138.3
[M+Na-2H]-	193.04823	138.5
[M]+	172.07301	137.2
[M]-	172.07411	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.