CID 96375

41532-81-4

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

COCCOC1=CC=CC=C1

InChI

InChI=1S/C9H12O2/c1-10-7-8-11-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

InChIKey

IFQVEYUAIINTRX-UHFFFAOYSA-N

Compound name

2-methoxyethoxybenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 554
References: 2719
Patents: 152.08372 Da
Monoisotopic Mass: 1.7
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]+	153.090996	130.2
[M+Na]+	175.072938	137.6
[M-H]-	151.076444	133.8
[M+NH4]+	170.117543	151.4
[M+K]+	191.046878	136.9
[M+H-H2O]+	135.080980	124.5
[M+HCOO]-	197.081921	155.3
[M+CH3COO]-	211.097571	175.4
[M+Na-2H]-	173.058386	138.5
[M]+	152.08317142	133.1
[M]-	152.08426858	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe