CID 186687

Monisouron

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CC(C)(C)C1=CC(=NO1)NC(=O)NC
InChI
InChI=1S/C9H15N3O2/c1-9(2,3)6-5-7(12-14-6)11-8(13)10-4/h5H,1-4H3,(H2,10,11,12,13)
InChIKey
GUGLRTKPJBGNAF-UHFFFAOYSA-N
Compound name
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4841
Patents

197.11642 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12370 144.7
[M+Na]+ 220.10564 153.0
[M+NH4]+ 215.15024 150.9
[M+K]+ 236.07958 151.8
[M-H]- 196.10914 146.0
[M+Na-2H]- 218.09109 148.2
[M]+ 197.11587 145.9
[M]- 197.11697 145.9
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