CID 23642855

2-(3,4-dihydroxy-phenyl)ethyl methyl carbonate

Structural Information

Molecular Formula

C₁₀H₁₂O₅

SMILES

COC(=O)OCCC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C10H12O5/c1-14-10(13)15-5-4-7-2-3-8(11)9(12)6-7/h2-3,6,11-12H,4-5H2,1H3

InChIKey

YUVJIRWJKNBBOI-UHFFFAOYSA-N

Compound name

2-(3,4-dihydroxyphenyl)ethyl methyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.06847 Da
Monoisotopic Mass: 0.3
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]+	213.075746	143.1
[M+Na]+	235.057688	150.9
[M-H]-	211.061194	144.5
[M+NH4]+	230.102293	160.8
[M+K]+	251.031628	149.7
[M+H-H2O]+	195.065730	137.4
[M+HCOO]-	257.066671	164.6
[M+CH3COO]-	271.082321	180.5
[M+Na-2H]-	233.043136	147.2
[M]+	212.06792142	146.1
[M]-	212.06901858	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.