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

5168
Patents

197.11642 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.123696 145.2
[M+Na]+ 220.105638 152.3
[M-H]- 196.109144 148.7
[M+NH4]+ 215.150243 163.5
[M+K]+ 236.079578 152.6
[M+H-H2O]+ 180.113680 138.8
[M+HCOO]- 242.114621 168.4
[M+CH3COO]- 256.130271 187.3
[M+Na-2H]- 218.091086 151.5
[M]+ 197.11587142 146.5
[M]- 197.11696858 146.5
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