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
4
Annotation Hits

0
References

4
Patents

168.1011 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10838 137.4
[M+Na]+ 191.09032 147.7
[M-H]- 167.09382 137.5
[M+NH4]+ 186.13492 154.1
[M+K]+ 207.06426 145.5
[M+H-H2O]+ 151.09836 130.3
[M+HCOO]- 213.09930 157.9
[M+CH3COO]- 227.11495 180.9
[M+Na-2H]- 189.07577 145.2
[M]+ 168.10055 137.3
[M]- 168.10165 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.