CID 170907249

4,7-dioxaspiro[2.5]octane-6-carboxylic acid

Structural Information

Molecular Formula
C7H10O4
SMILES
C1CC12COC(CO2)C(=O)O
InChI
InChI=1S/C7H10O4/c8-6(9)5-3-11-7(1-2-7)4-10-5/h5H,1-4H2,(H,8,9)
InChIKey
RCSZTYFVQPXJHL-UHFFFAOYSA-N
Compound name
4,7-dioxaspiro[2.5]octane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0579 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 131.7
[M+Na]+ 181.04712 140.0
[M-H]- 157.05062 138.3
[M+NH4]+ 176.09172 146.5
[M+K]+ 197.02106 141.9
[M+H-H2O]+ 141.05516 126.6
[M+HCOO]- 203.05610 148.9
[M+CH3COO]- 217.07175 174.4
[M+Na-2H]- 179.03257 140.3
[M]+ 158.05735 133.1
[M]- 158.05845 133.1
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.