CID 591060

Ethyl 2-methoxy-6-methylbenzoate

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CCOC(=O)C1=C(C=CC=C1OC)C

InChI

InChI=1S/C11H14O3/c1-4-14-11(12)10-8(2)6-5-7-9(10)13-3/h5-7H,4H2,1-3H3

InChIKey

GQLSLEBNODXANJ-UHFFFAOYSA-N

Compound name

ethyl 2-methoxy-6-methylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 192
Patents: 194.0943 Da
Monoisotopic Mass: 2.5
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]+	195.10158	141.3
[M+Na]+	217.08352	154.0
[M+NH4]+	212.12812	149.1
[M+K]+	233.05746	148.1
[M-H]-	193.08702	142.8
[M+Na-2H]-	215.06897	147.3
[M]+	194.09375	143.4
[M]-	194.09485	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe