CID 70149

2-methoxy-p-tolyl acetate

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

CC1=CC(=C(C=C1)OC(=O)C)OC

InChI

InChI=1S/C10H12O3/c1-7-4-5-9(13-8(2)11)10(6-7)12-3/h4-6H,1-3H3

InChIKey

OMYVQMNBUXUYLM-UHFFFAOYSA-N

Compound name

(2-methoxy-4-methylphenyl) acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 122
Patents: 180.07864 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]+	181.085916	135.4
[M+Na]+	203.067858	144.4
[M-H]-	179.071364	139.8
[M+NH4]+	198.112463	156.0
[M+K]+	219.041798	143.8
[M+H-H2O]+	163.075900	130.0
[M+HCOO]-	225.076841	159.7
[M+CH3COO]-	239.092491	182.0
[M+Na-2H]-	201.053306	140.7
[M]+	180.07809142	139.5
[M]-	180.07918858	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe