CID 108201

Desethylterbuthylazine

Structural Information

Molecular Formula
C7H12ClN5
SMILES
CC(C)(C)NC1=NC(=NC(=N1)N)Cl
InChI
InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)
InChIKey
LMKQNTMFZLAJDV-UHFFFAOYSA-N
Compound name
2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

14
References

29
Patents

201.07812 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.085396 145.4
[M+Na]+ 224.067338 155.1
[M-H]- 200.070844 145.2
[M+NH4]+ 219.111943 161.2
[M+K]+ 240.041278 151.2
[M+H-H2O]+ 184.075380 138.3
[M+HCOO]- 246.076321 161.8
[M+CH3COO]- 260.091971 188.4
[M+Na-2H]- 222.052786 152.9
[M]+ 201.07757142 145.5
[M]- 201.07866858 145.5
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