CID 3161123

957312-81-1

Structural Information

Molecular Formula

C₈H₇N₃O₃

SMILES

CN1C=C(C=N1)C2=NOC(=C2)C(=O)O

InChI

InChI=1S/C8H7N3O3/c1-11-4-5(3-9-11)6-2-7(8(12)13)14-10-6/h2-4H,1H3,(H,12,13)

InChIKey

DDSMWOCNQXPFLN-UHFFFAOYSA-N

Compound name

3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 29
Patents: 193.04874 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]+	194.05602	137.3
[M+Na]+	216.03796	149.4
[M+NH4]+	211.08256	143.2
[M+K]+	232.01190	149.9
[M-H]-	192.04146	138.3
[M+Na-2H]-	214.02341	142.9
[M]+	193.04819	139.0
[M]-	193.04929	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe