CID 78700

5001-80-9

Structural Information

Molecular Formula
C5H10N6O2
SMILES
C(NC1=NC(=NC(=N1)N)NCO)O
InChI
InChI=1S/C5H10N6O2/c6-3-9-4(7-1-12)11-5(10-3)8-2-13/h12-13H,1-2H2,(H4,6,7,8,9,10,11)
InChIKey
SUPOBRXPULIDDX-UHFFFAOYSA-N
Compound name
[[4-amino-6-(hydroxymethylamino)-1,3,5-triazin-2-yl]amino]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2796
Patents

186.08652 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.093796 137.1
[M+Na]+ 209.075738 144.6
[M-H]- 185.079244 134.4
[M+NH4]+ 204.120343 150.5
[M+K]+ 225.049678 141.8
[M+H-H2O]+ 169.083780 128.8
[M+HCOO]- 231.084721 158.9
[M+CH3COO]- 245.100371 184.0
[M+Na-2H]- 207.061186 145.3
[M]+ 186.08597142 133.7
[M]- 186.08706858 133.7
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

patents stripe