CID 65917797

Methyl 1,5-dioxaspiro[2.4]heptane-2-carboxylate

Structural Information

Molecular Formula
C7H10O4
SMILES
COC(=O)C1C2(O1)CCOC2
InChI
InChI=1S/C7H10O4/c1-9-6(8)5-7(11-5)2-3-10-4-7/h5H,2-4H2,1H3
InChIKey
GLSPAUJGXZHULX-UHFFFAOYSA-N
Compound name
methyl 1,6-dioxaspiro[2.4]heptane-2-carboxylate
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 135.4
[M+Na]+ 181.04712 146.5
[M+NH4]+ 176.09172 145.2
[M+K]+ 197.02106 144.4
[M-H]- 157.05062 145.6
[M+Na-2H]- 179.03257 142.2
[M]+ 158.05735 141.0
[M]- 158.05845 141.0
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.