CID 21893977

31962-32-0

Structural Information

Molecular Formula
C5H10N6O2
SMILES
C(N(CO)C1=NC(=NC(=N1)N)N)O
InChI
InChI=1S/C5H10N6O2/c6-3-8-4(7)10-5(9-3)11(1-12)2-13/h12-13H,1-2H2,(H4,6,7,8,9,10)
InChIKey
LTHDXRBQYLHLTE-UHFFFAOYSA-N
Compound name
[(4,6-diamino-1,3,5-triazin-2-yl)-(hydroxymethyl)amino]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1005
Patents

186.08652 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.093796 137.9
[M+Na]+ 209.075738 145.6
[M-H]- 185.079244 136.3
[M+NH4]+ 204.120343 151.8
[M+K]+ 225.049678 144.0
[M+H-H2O]+ 169.083780 129.6
[M+HCOO]- 231.084721 159.7
[M+CH3COO]- 245.100371 186.6
[M+Na-2H]- 207.061186 144.3
[M]+ 186.08597142 134.8
[M]- 186.08706858 134.8
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

patents stripe