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
3
Annotation Hits

0
References

16352
Patents

211.13208 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.13936 148.9
[M+Na]+ 234.12130 157.2
[M+NH4]+ 229.16590 155.1
[M+K]+ 250.09524 156.3
[M-H]- 210.12480 150.4
[M+Na-2H]- 232.10675 152.4
[M]+ 211.13153 150.2
[M]- 211.13263 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe