CID 3035362

(alpha-methoxybenzyl)oxirane

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

COC(C1CO1)C2=CC=CC=C2

InChI

InChI=1S/C10H12O2/c1-11-10(9-7-12-9)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3

InChIKey

QUJNFKZHJQYMOM-UHFFFAOYSA-N

Compound name

2-[methoxy(phenyl)methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 164.08372 Da
Monoisotopic Mass: 1.3
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]+	165.090996	132.4
[M+Na]+	187.072938	141.2
[M-H]-	163.076444	140.8
[M+NH4]+	182.117543	147.0
[M+K]+	203.046878	141.0
[M+H-H2O]+	147.080980	125.6
[M+HCOO]-	209.081921	155.8
[M+CH3COO]-	223.097571	181.1
[M+Na-2H]-	185.058386	140.5
[M]+	164.08317142	136.7
[M]-	164.08426858	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe