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 151.8
[M+Na]+ 257.06451 163.2
[M-H]- 233.06801 153.2
[M+NH4]+ 252.10911 164.4
[M+K]+ 273.03845 158.4
[M+H-H2O]+ 217.07255 143.4
[M+HCOO]- 279.07349 171.6
[M+CH3COO]- 293.08914 189.5
[M+Na-2H]- 255.04996 156.7
[M]+ 234.07474 151.2
[M]- 234.07584 151.2
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.