CID 80201

6110-36-7

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

CCOC(=O)C1=C(C=C(C=C1C)OC)O

InChI

InChI=1S/C11H14O4/c1-4-15-11(13)10-7(2)5-8(14-3)6-9(10)12/h5-6,12H,4H2,1-3H3

InChIKey

PJOOIAZRUIIQMU-UHFFFAOYSA-N

Compound name

ethyl 2-hydroxy-4-methoxy-6-methylbenzoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 101
Patents: 210.0892 Da
Monoisotopic Mass: 2.7
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]+	211.09648	143.1
[M+Na]+	233.07842	152.0
[M-H]-	209.08192	146.2
[M+NH4]+	228.12302	162.0
[M+K]+	249.05236	150.9
[M+H-H2O]+	193.08646	137.7
[M+HCOO]-	255.08740	165.7
[M+CH3COO]-	269.10305	185.8
[M+Na-2H]-	231.06387	146.6
[M]+	210.08865	147.5
[M]-	210.08975	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe