CID 25141039

1,2-dihydrodihydroxymetamitron

Structural Information

Molecular Formula

C₁₀H₁₂N₄O₃

SMILES

CC1=NN=C(C(=O)N1N)C2=CC=CC(C2O)O

InChI

InChI=1S/C10H12N4O3/c1-5-12-13-8(10(17)14(5)11)6-3-2-4-7(15)9(6)16/h2-4,7,9,15-16H,11H2,1H3

InChIKey

ZHUOIWYYQHIQCO-UHFFFAOYSA-N

Compound name

4-amino-6-(5,6-dihydroxycyclohexa-1,3-dien-1-yl)-3-methyl-1,2,4-triazin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.09094 Da
Monoisotopic Mass: -1.8
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]+	237.098216	153.2
[M+Na]+	259.080158	163.6
[M-H]-	235.083664	154.2
[M+NH4]+	254.124763	165.6
[M+K]+	275.054098	159.0
[M+H-H2O]+	219.088200	144.8
[M+HCOO]-	281.089141	171.5
[M+CH3COO]-	295.104791	189.9
[M+Na-2H]-	257.065606	157.1
[M]+	236.09039142	151.2
[M]-	236.09148858	151.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.