CID 3044738

Brn 0516085

Structural Information

Molecular Formula
C8H13ClN4
SMILES
CCCC1=NC(=NC(=N1)Cl)NCC
InChI
InChI=1S/C8H13ClN4/c1-3-5-6-11-7(9)13-8(12-6)10-4-2/h3-5H2,1-2H3,(H,10,11,12,13)
InChIKey
ACSKVRDYEYOWPC-UHFFFAOYSA-N
Compound name
4-chloro-N-ethyl-6-propyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.08287 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.09015 143.0
[M+Na]+ 223.07209 152.6
[M-H]- 199.07559 142.5
[M+NH4]+ 218.11669 159.2
[M+K]+ 239.04603 148.5
[M+H-H2O]+ 183.08013 135.2
[M+HCOO]- 245.08107 160.1
[M+CH3COO]- 259.09672 187.4
[M+Na-2H]- 221.05754 150.2
[M]+ 200.08232 145.8
[M]- 200.08342 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe