CID 146049808

2,9-dioxaspiro[5.5]undecane-3-carboxylic acid

Structural Information

Molecular Formula
C10H16O4
SMILES
C1CC2(CCOCC2)COC1C(=O)O
InChI
InChI=1S/C10H16O4/c11-9(12)8-1-2-10(7-14-8)3-5-13-6-4-10/h8H,1-7H2,(H,11,12)
InChIKey
GIPIFLUXORCWAV-UHFFFAOYSA-N
Compound name
2,9-dioxaspiro[5.5]undecane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.10486 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 144.7
[M+Na]+ 223.09408 154.0
[M+NH4]+ 218.13868 153.9
[M+K]+ 239.06802 148.3
[M-H]- 199.09758 148.9
[M+Na-2H]- 221.07953 148.9
[M]+ 200.10431 147.1
[M]- 200.10541 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.