CID 13569574

7430-89-9

Structural Information

Molecular Formula

C₁₃H₁₄O₃

SMILES

COC(=O)CC1CCC2=CC=CC=C2C1=O

InChI

InChI=1S/C13H14O3/c1-16-12(14)8-10-7-6-9-4-2-3-5-11(9)13(10)15/h2-5,10H,6-8H2,1H3

InChIKey

JXGWCLZVVXSVRQ-UHFFFAOYSA-N

Compound name

methyl 2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 218.0943 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.10158	146.9
[M+Na]+	241.08352	159.4
[M+NH4]+	236.12812	155.4
[M+K]+	257.05746	152.8
[M-H]-	217.08702	149.0
[M+Na-2H]-	239.06897	152.1
[M]+	218.09375	149.1
[M]-	218.09485	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe