CID 328295

5-methyl-3-isoxazolecarbohydrazide

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

CC1=CC(=NO1)C(=O)NN

InChI

InChI=1S/C5H7N3O2/c1-3-2-4(8-10-3)5(9)7-6/h2H,6H2,1H3,(H,7,9)

InChIKey

MKVLYUIHTXXSHQ-UHFFFAOYSA-N

Compound name

5-methyl-1,2-oxazole-3-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 78
Patents: 141.05383 Da
Monoisotopic Mass: -0.3
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]+	142.06111	126.4
[M+Na]+	164.04305	134.6
[M-H]-	140.04655	129.5
[M+NH4]+	159.08765	146.3
[M+K]+	180.01699	135.0
[M+H-H2O]+	124.05109	119.9
[M+HCOO]-	186.05203	151.8
[M+CH3COO]-	200.06768	175.5
[M+Na-2H]-	162.02850	132.9
[M]+	141.05328	125.9
[M]-	141.05438	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe