CID 11805727

1-acetoxy-2-methylnaphthalene

Structural Information

Molecular Formula

C₁₃H₁₂O₂

SMILES

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

InChI

InChI=1S/C13H12O2/c1-9-7-8-11-5-3-4-6-12(11)13(9)15-10(2)14/h3-8H,1-2H3

InChIKey

WVOAPRDRMLHUMI-UHFFFAOYSA-N

Compound name

(2-methylnaphthalen-1-yl) acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2218
Patents: 200.08372 Da
Monoisotopic Mass: 3.3
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]+	201.09100	141.7
[M+Na]+	223.07294	156.6
[M+NH4]+	218.11754	151.3
[M+K]+	239.04688	149.1
[M-H]-	199.07644	145.0
[M+Na-2H]-	221.05839	149.4
[M]+	200.08317	144.9
[M]-	200.08427	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe