CID 77777

4125-43-3

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

COC1=CC=CC=C1OCC=C

InChI

InChI=1S/C10H12O2/c1-3-8-12-10-7-5-4-6-9(10)11-2/h3-7H,1,8H2,2H3

InChIKey

KWRBXILMRLLABD-UHFFFAOYSA-N

Compound name

1-methoxy-2-prop-2-enoxybenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 325
Patents: 164.08372 Da
Monoisotopic Mass: 2.0
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]+	165.09100	132.8
[M+Na]+	187.07294	141.0
[M-H]-	163.07644	136.6
[M+NH4]+	182.11754	153.8
[M+K]+	203.04688	139.4
[M+H-H2O]+	147.08098	127.2
[M+HCOO]-	209.08192	157.8
[M+CH3COO]-	223.09757	178.7
[M+Na-2H]-	185.05839	139.9
[M]+	164.08317	135.7
[M]-	164.08427	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe