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]+ 159.065176 131.2
[M+Na]+ 181.047118 140.8
[M-H]- 157.050624 139.3
[M+NH4]+ 176.091723 148.5
[M+K]+ 197.021058 142.9
[M+H-H2O]+ 141.055160 126.9
[M+HCOO]- 203.056101 151.6
[M+CH3COO]- 217.071751 175.8
[M+Na-2H]- 179.032566 139.0
[M]+ 158.05735142 136.2
[M]- 158.05844858 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.