CID 12323792

U1 (desmethylthio-metribuzin)

Structural Information

Molecular Formula

C₇H₁₂N₄O

SMILES

CC(C)(C)C1=NN=CN(C1=O)N

InChI

InChI=1S/C7H12N4O/c1-7(2,3)5-6(12)11(8)4-9-10-5/h4H,8H2,1-3H3

InChIKey

GMHFNNALALGFKT-UHFFFAOYSA-N

Compound name

4-amino-6-tert-butyl-1,2,4-triazin-5-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2
Patents: 168.1011 Da
Monoisotopic Mass: 0.2
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]+	169.10838	135.4
[M+Na]+	191.09032	147.4
[M+NH4]+	186.13492	141.7
[M+K]+	207.06426	143.3
[M-H]-	167.09382	135.1
[M+Na-2H]-	189.07577	141.3
[M]+	168.10055	136.8
[M]-	168.10165	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe