CID 11745334

1,4-dioxaspiro[4.5]decane-8-carboxylic acid

Structural Information

Molecular Formula

C₉H₁₄O₄

SMILES

C1CC2(CCC1C(=O)O)OCCO2

InChI

InChI=1S/C9H14O4/c10-8(11)7-1-3-9(4-2-7)12-5-6-13-9/h7H,1-6H2,(H,10,11)

InChIKey

YMEMAALYLSKCLM-UHFFFAOYSA-N

Compound name

1,4-dioxaspiro[4.5]decane-8-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 193
Patents: 186.0892 Da
Monoisotopic Mass: 0.4
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]+	187.09648	140.1
[M+Na]+	209.07842	148.5
[M+NH4]+	204.12302	149.2
[M+K]+	225.05236	145.1
[M-H]-	185.08192	143.5
[M+Na-2H]-	207.06387	143.6
[M]+	186.08865	142.0
[M]-	186.08975	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe