CID 41648

Isouron

Structural Information

Molecular Formula

C₁₀H₁₇N₃O₂

SMILES

CC(C)(C)C1=CC(=NO1)NC(=O)N(C)C

InChI

InChI=1S/C10H17N3O2/c1-10(2,3)7-6-8(12-15-7)11-9(14)13(4)5/h6H,1-5H3,(H,11,12,14)

InChIKey

JLLJHQLUZAKJFH-UHFFFAOYSA-N

Compound name

3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 18094
Patents: 211.13208 Da
Monoisotopic Mass: 1.6
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]+	212.139356	149.5
[M+Na]+	234.121298	156.4
[M-H]-	210.124804	154.4
[M+NH4]+	229.165903	167.9
[M+K]+	250.095238	157.9
[M+H-H2O]+	194.129340	142.9
[M+HCOO]-	256.130281	172.9
[M+CH3COO]-	270.145931	193.8
[M+Na-2H]-	232.106746	154.6
[M]+	211.13153142	152.5
[M]-	211.13262858	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe