CID 483256

Schembl26847565

Structural Information

Molecular Formula

C₁₀H₁₃N₃O

SMILES

CCN1C(=CC(=N1)C2=NOC(=C2)C)C

InChI

InChI=1S/C10H13N3O/c1-4-13-7(2)5-9(11-13)10-6-8(3)14-12-10/h5-6H,4H2,1-3H3

InChIKey

PBXUKCIFCPRJOZ-UHFFFAOYSA-N

Compound name

3-(1-ethyl-5-methylpyrazol-3-yl)-5-methyl-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 191.10587 Da
Monoisotopic Mass: 1.5
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]+	192.11315	138.9
[M+Na]+	214.09509	151.1
[M-H]-	190.09859	143.9
[M+NH4]+	209.13969	157.5
[M+K]+	230.06903	149.6
[M+H-H2O]+	174.10313	131.5
[M+HCOO]-	236.10407	163.0
[M+CH3COO]-	250.11972	183.7
[M+Na-2H]-	212.08054	143.1
[M]+	191.10532	144.4
[M]-	191.10642	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe