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]+ 204.06467 141.7
[M+Na]+ 226.04661 150.5
[M-H]- 202.05011 140.0
[M+NH4]+ 221.09121 156.4
[M+K]+ 242.02055 146.7
[M+H-H2O]+ 186.05465 134.4
[M+HCOO]- 248.05559 157.8
[M+CH3COO]- 262.07124 186.3
[M+Na-2H]- 224.03206 147.6
[M]+ 203.05684 141.0
[M]- 203.05794 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.