CID 2760158

62550-65-6

Structural Information

Molecular Formula
C15H14O3
SMILES
CCOC(=O)CC(=O)C1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C15H14O3/c1-2-18-15(17)10-14(16)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,2,10H2,1H3
InChIKey
CMOYIKGRDXXXNU-UHFFFAOYSA-N
Compound name
ethyl 3-naphthalen-2-yl-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

242.0943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 153.4
[M+Na]+ 265.08352 166.6
[M+NH4]+ 260.12812 161.5
[M+K]+ 281.05746 159.7
[M-H]- 241.08702 155.5
[M+Na-2H]- 263.06897 159.8
[M]+ 242.09375 155.8
[M]- 242.09485 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe