CID 13878

Deisopropylatrazine

Structural Information

Molecular Formula
C5H8ClN5
SMILES
CCNC1=NC(=NC(=N1)N)Cl
InChI
InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)
InChIKey
IVENSCMCQBJAKW-UHFFFAOYSA-N
Compound name
6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

104
References

313
Patents

173.04683 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05411 132.1
[M+Na]+ 196.03605 144.7
[M+NH4]+ 191.08065 139.4
[M+K]+ 212.00999 139.0
[M-H]- 172.03955 133.3
[M+Na-2H]- 194.02150 139.0
[M]+ 173.04628 134.3
[M]- 173.04738 134.3
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