CID 30333

2-(naphthalen-2-yl)oxirane

Structural Information

Molecular Formula

C₁₂H₁₀O

SMILES

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

InChI

InChI=1S/C12H10O/c1-2-4-10-7-11(12-8-13-12)6-5-9(10)3-1/h1-7,12H,8H2

InChIKey

LAGFFQGUWPDQNH-UHFFFAOYSA-N

Compound name

2-naphthalen-2-yloxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 170.07317 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]+	171.080446	132.3
[M+Na]+	193.062388	142.9
[M-H]-	169.065894	141.6
[M+NH4]+	188.106993	147.8
[M+K]+	209.036328	140.9
[M+H-H2O]+	153.070430	125.5
[M+HCOO]-	215.071371	155.6
[M+CH3COO]-	229.087021	146.7
[M+Na-2H]-	191.047836	142.7
[M]+	170.07262142	135.4
[M]-	170.07371858	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe