CID 146082045

2408968-91-0

Structural Information

Molecular Formula
C9H12O4
SMILES
CCOC(=O)C1C(=O)COC12CC2
InChI
InChI=1S/C9H12O4/c1-2-12-8(11)7-6(10)5-13-9(7)3-4-9/h7H,2-5H2,1H3
InChIKey
XUHSQZSJLRUSSD-UHFFFAOYSA-N
Compound name
ethyl 6-oxo-4-oxaspiro[2.4]heptane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07356 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 138.7
[M+Na]+ 207.06278 148.5
[M-H]- 183.06628 146.2
[M+NH4]+ 202.10738 156.5
[M+K]+ 223.03672 148.4
[M+H-H2O]+ 167.07082 134.5
[M+HCOO]- 229.07176 159.7
[M+CH3COO]- 243.08741 181.7
[M+Na-2H]- 205.04823 144.1
[M]+ 184.07301 143.5
[M]- 184.07411 143.5
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.