CID 12435736

65898-66-0

Structural Information

Molecular Formula
C11H14O3
SMILES
CCOC(=O)C12CCCC1=CC(=O)C2
InChI
InChI=1S/C11H14O3/c1-2-14-10(13)11-5-3-4-8(11)6-9(12)7-11/h6H,2-5,7H2,1H3
InChIKey
HEGJRWMOGYDXCD-UHFFFAOYSA-N
Compound name
ethyl 5-oxo-1,2,3,4-tetrahydropentalene-3a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

194.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 144.0
[M+Na]+ 217.08352 151.8
[M-H]- 193.08702 148.5
[M+NH4]+ 212.12812 169.9
[M+K]+ 233.05746 150.2
[M+H-H2O]+ 177.09156 140.1
[M+HCOO]- 239.09250 166.3
[M+CH3COO]- 253.10815 181.1
[M+Na-2H]- 215.06897 146.8
[M]+ 194.09375 144.8
[M]- 194.09485 144.8
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

patents stripe