CID 135899517

1,2-dihydroxymetamitron

Structural Information

Molecular Formula
C10H10N4O3
SMILES
CC1=NN=C(C(=O)N1N)C2=C(C(=CC=C2)O)O
InChI
InChI=1S/C10H10N4O3/c1-5-12-13-8(10(17)14(5)11)6-3-2-4-7(15)9(6)16/h2-4,15-16H,11H2,1H3
InChIKey
ZTRQWTHPVZWMJV-UHFFFAOYSA-N
Compound name
4-amino-6-(2,3-dihydroxyphenyl)-3-methyl-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.07529 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08257 150.9
[M+Na]+ 257.06451 164.6
[M+NH4]+ 252.10911 156.2
[M+K]+ 273.03845 160.4
[M-H]- 233.06801 152.1
[M+Na-2H]- 255.04996 157.3
[M]+ 234.07474 152.9
[M]- 234.07584 152.9
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

No patent data available for this compound.