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 131.2
[M+Na]+ 181.04712 140.8
[M-H]- 157.05062 139.3
[M+NH4]+ 176.09172 148.5
[M+K]+ 197.02106 142.9
[M+H-H2O]+ 141.05516 126.9
[M+HCOO]- 203.05610 151.6
[M+CH3COO]- 217.07175 175.8
[M+Na-2H]- 179.03257 139.0
[M]+ 158.05735 136.2
[M]- 158.05845 136.2
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.