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

17985
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 149.5
[M+Na]+ 234.12130 156.4
[M-H]- 210.12480 154.4
[M+NH4]+ 229.16590 167.9
[M+K]+ 250.09524 157.9
[M+H-H2O]+ 194.12934 142.9
[M+HCOO]- 256.13028 172.9
[M+CH3COO]- 270.14593 193.8
[M+Na-2H]- 232.10675 154.6
[M]+ 211.13153 152.5
[M]- 211.13263 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.