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

7
Annotation Hits: 256
References: 31999
Patents: 214.08884 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	215.09612	149.2
[M+Na]+	237.07806	160.8
[M+NH4]+	232.12266	155.6
[M+K]+	253.05200	154.4
[M-H]-	213.08156	149.1
[M+Na-2H]-	235.06351	153.5
[M]+	214.08829	151.2
[M]-	214.08939	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe