CID 389996

21320-37-6

Structural Information

Molecular Formula

C₆H₁₀ClN₅

SMILES

CN(C)C1=NC(=NC(=N1)N)CCl

InChI

InChI=1S/C6H10ClN5/c1-12(2)6-10-4(3-7)9-5(8)11-6/h3H2,1-2H3,(H2,8,9,10,11)

InChIKey

WMWUQLMRNQGYEY-UHFFFAOYSA-N

Compound name

6-(chloromethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 187.06247 Da
Monoisotopic Mass: 0.5
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	136.6
[M+Na]+	210.05169	149.3
[M+NH4]+	205.09629	144.0
[M+K]+	226.02563	143.8
[M-H]-	186.05519	138.1
[M+Na-2H]-	208.03714	143.5
[M]+	187.06192	138.9
[M]-	187.06302	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe