CID 30479

Metribuzin

Structural Information

Molecular Formula
C8H14N4OS
SMILES
CC(C)(C)C1=NN=C(N(C1=O)N)SC
InChI
InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3
InChIKey
FOXFZRUHNHCZPX-UHFFFAOYSA-N
Compound name
4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

257
References

37853
Patents

214.08884 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.096116 148.2
[M+Na]+ 237.078058 159.0
[M-H]- 213.081564 148.5
[M+NH4]+ 232.122663 163.9
[M+K]+ 253.051998 155.3
[M+H-H2O]+ 197.086100 141.2
[M+HCOO]- 259.087041 163.0
[M+CH3COO]- 273.102691 188.9
[M+Na-2H]- 235.063506 151.3
[M]+ 214.08829142 150.8
[M]- 214.08938858 150.8
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