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
1
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]+ 232.09596 150.3
[M+Na]+ 254.07790 158.2
[M-H]- 230.08140 148.7
[M+NH4]+ 249.12250 164.1
[M+K]+ 270.05184 154.2
[M+H-H2O]+ 214.08594 142.5
[M+HCOO]- 276.08688 166.4
[M+CH3COO]- 290.10253 192.9
[M+Na-2H]- 252.06335 156.2
[M]+ 231.08813 151.4
[M]- 231.08923 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.