CID 22206

Terbuthylazine

Structural Information

Molecular Formula
C9H16ClN5
SMILES
CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C
InChI
InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)
InChIKey
FZXISNSWEXTPMF-UHFFFAOYSA-N
Compound name
2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

308
References

25453
Patents

229.10942 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11670 154.1
[M+Na]+ 252.09864 162.9
[M-H]- 228.10214 154.0
[M+NH4]+ 247.14324 169.0
[M+K]+ 268.07258 158.9
[M+H-H2O]+ 212.10668 146.4
[M+HCOO]- 274.10762 170.4
[M+CH3COO]- 288.12327 195.1
[M+Na-2H]- 250.08409 161.6
[M]+ 229.10887 155.9
[M]- 229.10997 155.9
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.