CID 3442933

74592-86-2

Structural Information

Molecular Formula

C₉H₁₁NO₅

SMILES

C1=C(C=C(C(=C1O)O)O)C(=O)NCCO

InChI

InChI=1S/C9H11NO5/c11-2-1-10-9(15)5-3-6(12)8(14)7(13)4-5/h3-4,11-14H,1-2H2,(H,10,15)

InChIKey

PRNWTKPIVXQWJO-UHFFFAOYSA-N

Compound name

3,4,5-trihydroxy-N-(2-hydroxyethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 213.06372 Da
Monoisotopic Mass: -0.2
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]+	214.070996	143.2
[M+Na]+	236.052938	150.4
[M-H]-	212.056444	142.1
[M+NH4]+	231.097543	159.1
[M+K]+	252.026878	147.7
[M+H-H2O]+	196.060980	137.7
[M+HCOO]-	258.061921	162.8
[M+CH3COO]-	272.077571	180.2
[M+Na-2H]-	234.038386	146.3
[M]+	213.06317142	141.7
[M]-	213.06426858	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe