CID 15101121

134136-04-2

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

C1CC2(CCC1CC(=O)O)OCCO2

InChI

InChI=1S/C10H16O4/c11-9(12)7-8-1-3-10(4-2-8)13-5-6-14-10/h8H,1-7H2,(H,11,12)

InChIKey

RDZCSTLPRXANJV-UHFFFAOYSA-N

Compound name

2-(1,4-dioxaspiro[4.5]decan-8-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 200.10486 Da
Monoisotopic Mass: 0.6
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]+	201.11214	144.5
[M+Na]+	223.09408	152.7
[M+NH4]+	218.13868	153.5
[M+K]+	239.06802	149.1
[M-H]-	199.09758	147.8
[M+Na-2H]-	221.07953	147.8
[M]+	200.10431	146.4
[M]-	200.10541	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe