CID 22563

Deethylatrazine

Structural Information

Molecular Formula

C₆H₁₀ClN₅

SMILES

CC(C)NC1=NC(=NC(=N1)N)Cl

InChI

InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)

InChIKey

DFWFIQKMSFGDCQ-UHFFFAOYSA-N

Compound name

6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 172
References: 516
Patents: 187.06247 Da
Monoisotopic Mass: 1.5
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]+	188.06975	136.9
[M+Na]+	210.05169	149.1
[M+NH4]+	205.09629	144.0
[M+K]+	226.02563	143.9
[M-H]-	186.05519	138.0
[M+Na-2H]-	208.03714	143.2
[M]+	187.06192	139.0
[M]-	187.06302	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe