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
8
Annotation Hits

172
References

519
Patents

187.06247 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.06975 139.0
[M+Na]+ 210.05169 148.4
[M-H]- 186.05519 138.6
[M+NH4]+ 205.09629 155.1
[M+K]+ 226.02563 144.8
[M+H-H2O]+ 170.05973 131.5
[M+HCOO]- 232.06067 156.3
[M+CH3COO]- 246.07632 186.6
[M+Na-2H]- 208.03714 145.4
[M]+ 187.06192 138.8
[M]- 187.06302 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe