CID 69067

605-89-0

Structural Information

Molecular Formula

C₁₄H₁₂O₄

SMILES

CC(=O)OC1=CC=CC2=C1C=CC=C2OC(=O)C

InChI

InChI=1S/C14H12O4/c1-9(15)17-13-7-3-6-12-11(13)5-4-8-14(12)18-10(2)16/h3-8H,1-2H3

InChIKey

OZXMAFKBBGXKSP-UHFFFAOYSA-N

Compound name

(5-acetyloxynaphthalen-1-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 49
Patents: 244.07356 Da
Monoisotopic Mass: 2.5
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]+	245.080836	151.1
[M+Na]+	267.062778	159.5
[M-H]-	243.066284	156.0
[M+NH4]+	262.107383	169.7
[M+K]+	283.036718	157.8
[M+H-H2O]+	227.070820	144.6
[M+HCOO]-	289.071761	173.1
[M+CH3COO]-	303.087411	193.1
[M+Na-2H]-	265.048226	156.2
[M]+	244.07301142	155.3
[M]-	244.07410858	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe