CID 3044737

Brn 0610572

Structural Information

Molecular Formula

C₈H₁₃ClN₄

SMILES

CCC1=NC(=NC(=N1)Cl)NC(C)C

InChI

InChI=1S/C8H13ClN4/c1-4-6-11-7(9)13-8(12-6)10-5(2)3/h5H,4H2,1-3H3,(H,10,11,12,13)

InChIKey

XHGCHTACKWCQGD-UHFFFAOYSA-N

Compound name

4-chloro-6-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 200.08287 Da
Monoisotopic Mass: 2.9
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]+	201.09015	143.0
[M+Na]+	223.07209	152.3
[M-H]-	199.07559	142.6
[M+NH4]+	218.11669	159.2
[M+K]+	239.04603	148.7
[M+H-H2O]+	183.08013	135.4
[M+HCOO]-	245.08107	159.2
[M+CH3COO]-	259.09672	188.3
[M+Na-2H]-	221.05754	149.0
[M]+	200.08232	145.2
[M]-	200.08342	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe