CID 138987658

4-amino-6-(hydroxymethyl)-1,3,5-triazin-2-ol hydrochloride

Structural Information

Molecular Formula
C4H6N4O2
SMILES
C(C1=NC(=NC(=O)N1)N)O
InChI
InChI=1S/C4H6N4O2/c5-3-6-2(1-9)7-4(10)8-3/h9H,1H2,(H3,5,6,7,8,10)
InChIKey
FLGFTHNQWIRTFD-UHFFFAOYSA-N
Compound name
4-amino-6-(hydroxymethyl)-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.04907 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.05635 126.8
[M+Na]+ 165.03829 136.9
[M-H]- 141.04179 124.2
[M+NH4]+ 160.08289 142.7
[M+K]+ 181.01223 133.7
[M+H-H2O]+ 125.04633 119.8
[M+HCOO]- 187.04727 147.0
[M+CH3COO]- 201.06292 169.4
[M+Na-2H]- 163.02374 134.4
[M]+ 142.04852 123.9
[M]- 142.04962 123.9
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.