CID 92995

5234-06-0

Structural Information

Molecular Formula

C₁₃H₁₂O₂

SMILES

C1C(O1)COC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C13H12O2/c1-2-4-11-7-12(6-5-10(11)3-1)14-8-13-9-15-13/h1-7,13H,8-9H2

InChIKey

BKYSFVJCBRHGMA-UHFFFAOYSA-N

Compound name

2-(naphthalen-2-yloxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 723
Patents: 200.08372 Da
Monoisotopic Mass: 3.2
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	140.8
[M+Na]+	223.07294	150.9
[M-H]-	199.07644	149.9
[M+NH4]+	218.11754	155.0
[M+K]+	239.04688	149.0
[M+H-H2O]+	183.08098	133.6
[M+HCOO]-	245.08192	163.8
[M+CH3COO]-	259.09757	154.5
[M+Na-2H]-	221.05839	150.5
[M]+	200.08317	145.6
[M]-	200.08427	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe