CID 76450

Trimeturon

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O

SMILES

CN(C)C(=NC1=CC=C(C=C1)Cl)OC

InChI

InChI=1S/C10H13ClN2O/c1-13(2)10(14-3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3

InChIKey

MYURAHUSYDVWQA-UHFFFAOYSA-N

Compound name

methyl N'-(4-chlorophenyl)-N,N-dimethylcarbamimidate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8012
Patents: 212.07164 Da
Monoisotopic Mass: 2.6
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]+	213.078916	146.1
[M+Na]+	235.060858	154.0
[M-H]-	211.064364	152.7
[M+NH4]+	230.105463	166.8
[M+K]+	251.034798	152.4
[M+H-H2O]+	195.068900	140.2
[M+HCOO]-	257.069841	169.4
[M+CH3COO]-	271.085491	195.1
[M+Na-2H]-	233.046306	151.6
[M]+	212.07109142	150.4
[M]-	212.07218858	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe