CID 2760157

62071-76-5

Structural Information

Molecular Formula
C15H14O3
SMILES
CCOC(=O)CC(=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C15H14O3/c1-2-18-15(17)10-14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3
InChIKey
JFWSFANXHXCJOY-UHFFFAOYSA-N
Compound name
ethyl 3-naphthalen-1-yl-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

107
Patents

242.0943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 153.3
[M+Na]+ 265.08352 160.4
[M-H]- 241.08702 157.7
[M+NH4]+ 260.12812 171.7
[M+K]+ 281.05746 157.8
[M+H-H2O]+ 225.09156 146.6
[M+HCOO]- 287.09250 174.8
[M+CH3COO]- 301.10815 193.4
[M+Na-2H]- 263.06897 158.5
[M]+ 242.09375 156.1
[M]- 242.09485 156.1
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