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

5
Annotation Hits: 6
References: 3630
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]+	201.090996	140.8
[M+Na]+	223.072938	150.9
[M-H]-	199.076444	149.9
[M+NH4]+	218.117543	155.0
[M+K]+	239.046878	149.0
[M+H-H2O]+	183.080980	133.6
[M+HCOO]-	245.081921	163.8
[M+CH3COO]-	259.097571	154.5
[M+Na-2H]-	221.058386	150.5
[M]+	200.08317142	145.6
[M]-	200.08426858	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe