CID 217409

38902-68-0

Structural Information

Molecular Formula

C₇H₁₂ClN₅

SMILES

CCN(CC)C1=NC(=NC(=N1)N)Cl

InChI

InChI=1S/C7H12ClN5/c1-3-13(4-2)7-11-5(8)10-6(9)12-7/h3-4H2,1-2H3,(H2,9,10,11,12)

InChIKey

IKPKORYHXFIOSN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 39
Patents: 201.07812 Da
Monoisotopic Mass: 2.3
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]+	202.08540	143.0
[M+Na]+	224.06734	152.4
[M-H]-	200.07084	143.8
[M+NH4]+	219.11194	159.3
[M+K]+	240.04128	149.5
[M+H-H2O]+	184.07538	135.0
[M+HCOO]-	246.07632	161.5
[M+CH3COO]-	260.09197	192.1
[M+Na-2H]-	222.05279	149.4
[M]+	201.07757	145.1
[M]-	201.07867	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe