CID 13368011

Ethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate

Structural Information

Molecular Formula
C14H16O3
SMILES
CCOC(=O)C(=O)C1=CC2=C(CCCC2)C=C1
InChI
InChI=1S/C14H16O3/c1-2-17-14(16)13(15)12-8-7-10-5-3-4-6-11(10)9-12/h7-9H,2-6H2,1H3
InChIKey
FSFBUINHZSBSIG-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

232.10994 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.117216 151.2
[M+Na]+ 255.099158 156.7
[M-H]- 231.102664 154.9
[M+NH4]+ 250.143763 169.8
[M+K]+ 271.073098 154.6
[M+H-H2O]+ 215.107200 144.8
[M+HCOO]- 277.108141 170.1
[M+CH3COO]- 291.123791 191.1
[M+Na-2H]- 253.084606 155.0
[M]+ 232.10939142 150.8
[M]- 232.11048858 150.8
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