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

8
Annotation Hits: 109
References: 31721
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	149.8
[M+Na]+	240.08558	157.8
[M-H]-	216.08908	150.9
[M+NH4]+	235.13018	162.3
[M+K]+	256.05952	153.4
[M+H-H2O]+	200.09362	139.5
[M+HCOO]-	262.09456	168.8
[M+CH3COO]-	276.11021	188.7
[M+Na-2H]-	238.07103	157.0
[M]+	217.09581	146.6
[M]-	217.09691	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe