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

110
References

32639
Patents

217.09636 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.103636 149.8
[M+Na]+ 240.085578 157.8
[M-H]- 216.089084 150.9
[M+NH4]+ 235.130183 162.3
[M+K]+ 256.059518 153.4
[M+H-H2O]+ 200.093620 139.5
[M+HCOO]- 262.094561 168.8
[M+CH3COO]- 276.110211 188.7
[M+Na-2H]- 238.071026 157.0
[M]+ 217.09581142 146.6
[M]- 217.09690858 146.6
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

patents stripe