CID 87170

1-ethoxy-2-methoxybenzene

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

CCOC1=CC=CC=C1OC

InChI

InChI=1S/C9H12O2/c1-3-11-9-7-5-4-6-8(9)10-2/h4-7H,3H2,1-2H3

InChIKey

OMONCKYJLBVWOQ-UHFFFAOYSA-N

Compound name

1-ethoxy-2-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 3276
Patents: 152.08372 Da
Monoisotopic Mass: 2.1
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]+	153.09100	129.5
[M+Na]+	175.07294	137.9
[M-H]-	151.07644	133.5
[M+NH4]+	170.11754	151.1
[M+K]+	191.04688	137.2
[M+H-H2O]+	135.08098	124.0
[M+HCOO]-	197.08192	154.7
[M+CH3COO]-	211.09757	176.5
[M+Na-2H]-	173.05839	137.2
[M]+	152.08317	132.8
[M]-	152.08427	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe