CID 3032427

Ws 127

Structural Information

Molecular Formula

C₈H₇N₃O₃

SMILES

C1=CC(=C(C=C1N)O)C2=NNC(=O)O2

InChI

InChI=1S/C8H7N3O3/c9-4-1-2-5(6(12)3-4)7-10-11-8(13)14-7/h1-3,12H,9H2,(H,11,13)

InChIKey

WQJPRBWJPRENOJ-UHFFFAOYSA-N

Compound name

5-(4-amino-2-hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.04874 Da
Monoisotopic Mass: 0.4
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]+	194.05602	137.3
[M+Na]+	216.03796	147.6
[M-H]-	192.04146	140.3
[M+NH4]+	211.08256	152.9
[M+K]+	232.01190	144.7
[M+H-H2O]+	176.04600	130.0
[M+HCOO]-	238.04694	159.1
[M+CH3COO]-	252.06259	177.8
[M+Na-2H]-	214.02341	142.9
[M]+	193.04819	136.0
[M]-	193.04929	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe