CID 45054400

92289-74-2

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₂

SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NN

InChI

InChI=1S/C11H11N3O2/c1-7-2-4-8(5-3-7)10-6-9(14-16-10)11(15)13-12/h2-6H,12H2,1H3,(H,13,15)

InChIKey

NSPQHSQLLNCICM-UHFFFAOYSA-N

Compound name

5-(4-methylphenyl)-1,2-oxazole-3-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 217.08513 Da
Monoisotopic Mass: 1.3
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]+	218.09241	146.9
[M+Na]+	240.07435	154.9
[M-H]-	216.07785	153.3
[M+NH4]+	235.11895	163.7
[M+K]+	256.04829	153.1
[M+H-H2O]+	200.08239	139.1
[M+HCOO]-	262.08333	171.9
[M+CH3COO]-	276.09898	190.6
[M+Na-2H]-	238.05980	152.0
[M]+	217.08458	146.6
[M]-	217.08568	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe