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

29
Patents

232.10994 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11722 151.2
[M+Na]+ 255.09916 156.7
[M-H]- 231.10266 154.9
[M+NH4]+ 250.14376 169.8
[M+K]+ 271.07310 154.6
[M+H-H2O]+ 215.10720 144.8
[M+HCOO]- 277.10814 170.1
[M+CH3COO]- 291.12379 191.1
[M+Na-2H]- 253.08461 155.0
[M]+ 232.10939 150.8
[M]- 232.11049 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