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]+ 174.05411 134.3
[M+Na]+ 196.03605 144.3
[M-H]- 172.03955 133.8
[M+NH4]+ 191.08065 150.9
[M+K]+ 212.00999 140.5
[M+H-H2O]+ 156.04409 126.8
[M+HCOO]- 218.04503 152.9
[M+CH3COO]- 232.06068 182.7
[M+Na-2H]- 194.02150 142.3
[M]+ 173.04628 134.2
[M]- 173.04738 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.