CID 15818023

(hydroxy-isopropyl)-atrazine

Structural Information

Molecular Formula
C8H14ClN5O
SMILES
CCNC1=NC(=NC(=N1)Cl)NC(C)CO
InChI
InChI=1S/C8H14ClN5O/c1-3-10-7-12-6(9)13-8(14-7)11-5(2)4-15/h5,15H,3-4H2,1-2H3,(H2,10,11,12,13,14)
InChIKey
PQOIZBRRWJWKAC-UHFFFAOYSA-N
Compound name
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

231.08868 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.095956 150.3
[M+Na]+ 254.077898 158.2
[M-H]- 230.081404 148.7
[M+NH4]+ 249.122503 164.1
[M+K]+ 270.051838 154.2
[M+H-H2O]+ 214.085940 142.5
[M+HCOO]- 276.086881 166.4
[M+CH3COO]- 290.102531 192.9
[M+Na-2H]- 252.063346 156.2
[M]+ 231.08813142 151.4
[M]- 231.08922858 151.4
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

No patent data available for this compound.