CID 21819294

100707-50-4

Structural Information

Molecular Formula

C₇H₆N₂O₃

SMILES

C1=C2C(=CC(=C1O)O)NC(=O)N2

InChI

InChI=1S/C7H6N2O3/c10-5-1-3-4(2-6(5)11)9-7(12)8-3/h1-2,10-11H,(H2,8,9,12)

InChIKey

UGPAJONXSJEDAO-UHFFFAOYSA-N

Compound name

5,6-dihydroxy-1,3-dihydrobenzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 166.03784 Da
Monoisotopic Mass: -0.1
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]+	167.045116	129.4
[M+Na]+	189.027058	141.3
[M-H]-	165.030564	127.7
[M+NH4]+	184.071663	148.1
[M+K]+	205.000998	136.2
[M+H-H2O]+	149.035100	124.2
[M+HCOO]-	211.036041	148.9
[M+CH3COO]-	225.051691	142.6
[M+Na-2H]-	187.012506	136.3
[M]+	166.03729142	128.1
[M]-	166.03838858	128.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.