CID 80779841

Deethylatrazine-alcohol

Structural Information

Molecular Formula
C6H10ClN5O
SMILES
CC(CO)NC1=NC(=NC(=N1)N)Cl
InChI
InChI=1S/C6H10ClN5O/c1-3(2-13)9-6-11-4(7)10-5(8)12-6/h3,13H,2H2,1H3,(H3,8,9,10,11,12)
InChIKey
FNBALTXVJTUUKU-UHFFFAOYSA-N
Compound name
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

203.05739 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.064666 141.7
[M+Na]+ 226.046608 150.5
[M-H]- 202.050114 140.0
[M+NH4]+ 221.091213 156.4
[M+K]+ 242.020548 146.7
[M+H-H2O]+ 186.054650 134.4
[M+HCOO]- 248.055591 157.8
[M+CH3COO]- 262.071241 186.3
[M+Na-2H]- 224.032056 147.6
[M]+ 203.05684142 141.0
[M]- 203.05793858 141.0
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.