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
8
Annotation Hits

104
References

345
Patents

173.04683 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.054106 134.3
[M+Na]+ 196.036048 144.3
[M-H]- 172.039554 133.8
[M+NH4]+ 191.080653 150.9
[M+K]+ 212.009988 140.5
[M+H-H2O]+ 156.044090 126.8
[M+HCOO]- 218.045031 152.9
[M+CH3COO]- 232.060681 182.7
[M+Na-2H]- 194.021496 142.3
[M]+ 173.04628142 134.2
[M]- 173.04737858 134.2
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