CID 91521

2461-42-9

Structural Information

Molecular Formula

C₁₃H₁₂O₂

SMILES

C1C(O1)COC2=CC=CC3=CC=CC=C32

InChI

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

InChIKey

QYYCPWLLBSSFBW-UHFFFAOYSA-N

Compound name

2-(naphthalen-1-yloxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 6
References: 3384
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	144.3
[M+Na]+	223.07294	160.9
[M+NH4]+	218.11754	155.0
[M+K]+	239.04688	154.3
[M-H]-	199.07644	157.3
[M+Na-2H]-	221.05839	155.5
[M]+	200.08317	151.7
[M]-	200.08427	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe