CID 1712324

38209-58-4

Structural Information

Molecular Formula

C₁₁H₁₂O₅

SMILES

COC1=C(C=C(C=C1)C(=O)C(=O)OC)OC

InChI

InChI=1S/C11H12O5/c1-14-8-5-4-7(6-9(8)15-2)10(12)11(13)16-3/h4-6H,1-3H3

InChIKey

RRANFHUAXGKYBS-UHFFFAOYSA-N

Compound name

methyl 2-(3,4-dimethoxyphenyl)-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 224.06847 Da
Monoisotopic Mass: 1.8
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]+	225.07575	146.2
[M+Na]+	247.05769	157.6
[M+NH4]+	242.10229	152.5
[M+K]+	263.03163	153.6
[M-H]-	223.06119	146.2
[M+Na-2H]-	245.04314	150.9
[M]+	224.06792	147.6
[M]-	224.06902	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe