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 143.2
[M+Na]+ 223.09408 146.6
[M-H]- 199.09758 147.6
[M+NH4]+ 218.13868 160.5
[M+K]+ 239.06802 148.0
[M+H-H2O]+ 183.10212 137.5
[M+HCOO]- 245.10306 156.9
[M+CH3COO]- 259.11871 178.1
[M+Na-2H]- 221.07953 149.3
[M]+ 200.10431 137.3
[M]- 200.10541 137.3
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.