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
9
Annotation Hits

172
References

601
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.