CID 15247548

Methyl 4-(methoxymethyl)benzoate

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

COCC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C10H12O3/c1-12-7-8-3-5-9(6-4-8)10(11)13-2/h3-6H,7H2,1-2H3

InChIKey

SSICQFZFHOPSCI-UHFFFAOYSA-N

Compound name

methyl 4-(methoxymethyl)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 180.07864 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]+	181.085916	136.4
[M+Na]+	203.067858	144.4
[M-H]-	179.071364	140.4
[M+NH4]+	198.112463	156.7
[M+K]+	219.041798	143.8
[M+H-H2O]+	163.075900	130.7
[M+HCOO]-	225.076841	160.7
[M+CH3COO]-	239.092491	180.8
[M+Na-2H]-	201.053306	142.3
[M]+	180.07809142	140.1
[M]-	180.07918858	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe