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]+ 195.101576 144.0
[M+Na]+ 217.083518 151.8
[M-H]- 193.087024 148.5
[M+NH4]+ 212.128123 169.9
[M+K]+ 233.057458 150.2
[M+H-H2O]+ 177.091560 140.1
[M+HCOO]- 239.092501 166.3
[M+CH3COO]- 253.108151 181.1
[M+Na-2H]- 215.068966 146.8
[M]+ 194.09375142 144.8
[M]- 194.09484858 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