CID 15757502

Methyl 1-oxaspiro[2.3]hexane-5-carboxylate

Structural Information

Molecular Formula
C7H10O3
SMILES
COC(=O)C1CC2(C1)CO2
InChI
InChI=1S/C7H10O3/c1-9-6(8)5-2-7(3-5)4-10-7/h5H,2-4H2,1H3
InChIKey
ZUMWWUYGNLZBKS-UHFFFAOYSA-N
Compound name
methyl 1-oxaspiro[2.3]hexane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

142.06299 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 130.5
[M+Na]+ 165.05221 138.2
[M+NH4]+ 160.09681 136.8
[M+K]+ 181.02615 135.6
[M-H]- 141.05571 137.0
[M+Na-2H]- 163.03766 136.3
[M]+ 142.06244 133.4
[M]- 142.06354 133.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe