CID 11310

Acetomenaphthone

Structural Information

Molecular Formula

C₁₅H₁₄O₄

SMILES

CC1=C(C2=CC=CC=C2C(=C1)OC(=O)C)OC(=O)C

InChI

InChI=1S/C15H14O4/c1-9-8-14(18-10(2)16)12-6-4-5-7-13(12)15(9)19-11(3)17/h4-8H,1-3H3

InChIKey

RYWSYCQQUDFMAU-UHFFFAOYSA-N

Compound name

(4-acetyloxy-3-methylnaphthalen-1-yl) acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 1860
Patents: 258.0892 Da
Monoisotopic Mass: 3.0
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]+	259.09648	155.0
[M+Na]+	281.07842	163.9
[M-H]-	257.08192	160.2
[M+NH4]+	276.12302	173.4
[M+K]+	297.05236	162.1
[M+H-H2O]+	241.08646	148.6
[M+HCOO]-	303.08740	176.7
[M+CH3COO]-	317.10305	197.3
[M+Na-2H]-	279.06387	159.0
[M]+	258.08865	160.0
[M]-	258.08975	160.0

Literature stripe

literature stripe

Patent stripe

patents stripe