CID 6484393

957487-32-0

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₃

SMILES

CCN1C(=C(C=N1)C2=CC(=NO2)C(=O)O)C

InChI

InChI=1S/C10H11N3O3/c1-3-13-6(2)7(5-11-13)9-4-8(10(14)15)12-16-9/h4-5H,3H2,1-2H3,(H,14,15)

InChIKey

ICZFVKOUEQVVPE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 221.08005 Da
Monoisotopic Mass: 0.9
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]+	222.08733	145.0
[M+Na]+	244.06927	156.2
[M-H]-	220.07277	148.8
[M+NH4]+	239.11387	161.3
[M+K]+	260.04321	154.9
[M+H-H2O]+	204.07731	137.6
[M+HCOO]-	266.07825	167.1
[M+CH3COO]-	280.09390	185.4
[M+Na-2H]-	242.05472	147.6
[M]+	221.07950	150.0
[M]-	221.08060	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe