CID 24209556

Ethyl 6-oxospiro[2.4]heptane-5-carboxylate

Structural Information

Molecular Formula
C10H14O3
SMILES
CCOC(=O)C1CC2(CC2)CC1=O
InChI
InChI=1S/C10H14O3/c1-2-13-9(12)7-5-10(3-4-10)6-8(7)11/h7H,2-6H2,1H3
InChIKey
BRBZXNIHZZHZMW-UHFFFAOYSA-N
Compound name
ethyl 6-oxospiro[2.4]heptane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 140.7
[M+Na]+ 205.08352 150.1
[M-H]- 181.08702 147.4
[M+NH4]+ 200.12812 159.8
[M+K]+ 221.05746 148.3
[M+H-H2O]+ 165.09156 136.4
[M+HCOO]- 227.09250 162.2
[M+CH3COO]- 241.10815 182.6
[M+Na-2H]- 203.06897 144.4
[M]+ 182.09375 143.7
[M]- 182.09485 143.7
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.