CID 86578642

Methyl 5-hydroxy-2-(4-hydroxy-2-methoxy-6-methoxycarbonyl-phenoxy)-4-methyl-benzoate

Structural Information

Molecular Formula

C₁₈H₁₈O₈

SMILES

CC1=CC(=C(C=C1O)C(=O)OC)OC2=C(C=C(C=C2OC)O)C(=O)OC

InChI

InChI=1S/C18H18O8/c1-9-5-14(11(8-13(9)20)17(21)24-3)26-16-12(18(22)25-4)6-10(19)7-15(16)23-2/h5-8,19-20H,1-4H3

InChIKey

CBURMZAEAIJGPZ-UHFFFAOYSA-N

Compound name

methyl 5-hydroxy-2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 362.10016 Da
Monoisotopic Mass: 2.8
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]+	363.107436	177.7
[M+Na]+	385.089378	185.9
[M-H]-	361.092884	182.9
[M+NH4]+	380.133983	189.2
[M+K]+	401.063318	185.3
[M+H-H2O]+	345.097420	169.9
[M+HCOO]-	407.098361	197.5
[M+CH3COO]-	421.114011	212.8
[M+Na-2H]-	383.074826	176.8
[M]+	362.09961142	185.6
[M]-	362.10070858	185.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.