CID 9576037

Pymetrozine

Structural Information

Molecular Formula

C₁₀H₁₁N₅O

SMILES

CC1=NNC(=O)N(C1)/N=C/C2=CN=CC=C2

InChI

InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+

InChIKey

QHMTXANCGGJZRX-WUXMJOGZSA-N

Compound name

6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 107
References: 29386
Patents: 217.09636 Da
Monoisotopic Mass: 0.0
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]+	218.10364	148.5
[M+Na]+	240.08558	161.5
[M+NH4]+	235.13018	154.6
[M+K]+	256.05952	155.3
[M-H]-	216.08908	150.1
[M+Na-2H]-	238.07103	156.0
[M]+	217.09581	150.5
[M]-	217.09691	150.5

Literature stripe

literature stripe

Patent stripe

patents stripe