CID 45158798

5,8-dioxaspiro[3.4]octane-2-carboxylic acid

Structural Information

Molecular Formula
C7H10O4
SMILES
C1COC2(O1)CC(C2)C(=O)O
InChI
InChI=1S/C7H10O4/c8-6(9)5-3-7(4-5)10-1-2-11-7/h5H,1-4H2,(H,8,9)
InChIKey
PGWGOPXPTJDZKT-UHFFFAOYSA-N
Compound name
5,8-dioxaspiro[3.4]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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 130.7
[M+Na]+ 181.04712 134.9
[M+NH4]+ 176.09172 135.6
[M+K]+ 197.02106 134.2
[M-H]- 157.05062 130.6
[M+Na-2H]- 179.03257 131.9
[M]+ 158.05735 129.9
[M]- 158.05845 129.9
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

patents stripe