CID 53422706

84522-06-5

Structural Information

Molecular Formula
C7H12N4O4
SMILES
C(COC1=NC(=NC(=N1)N)OCCO)O
InChI
InChI=1S/C7H12N4O4/c8-5-9-6(14-3-1-12)11-7(10-5)15-4-2-13/h12-13H,1-4H2,(H2,8,9,10,11)
InChIKey
OMHXPLFYQWATCP-UHFFFAOYSA-N
Compound name
2-[[4-amino-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.08586 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.093136 144.8
[M+Na]+ 239.075078 152.9
[M-H]- 215.078584 141.6
[M+NH4]+ 234.119683 157.6
[M+K]+ 255.049018 150.8
[M+H-H2O]+ 199.083120 136.6
[M+HCOO]- 261.084061 164.3
[M+CH3COO]- 275.099711 183.7
[M+Na-2H]- 237.060526 151.1
[M]+ 216.08531142 146.5
[M]- 216.08640858 146.5
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.