CID 135436550

4,5-diamino-6-hydroxypyrimidine

Structural Information

Molecular Formula
C4H6N4O
SMILES
C1=NC(=C(C(=O)N1)N)N
InChI
InChI=1S/C4H6N4O/c5-2-3(6)7-1-8-4(2)9/h1H,5H2,(H3,6,7,8,9)
InChIKey
PWRHKLKFADDKHS-UHFFFAOYSA-N
Compound name
4,5-diamino-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

346
Patents

126.05416 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.06144 121.0
[M+Na]+ 149.04338 132.1
[M+NH4]+ 144.08798 127.8
[M+K]+ 165.01732 128.1
[M-H]- 125.04688 121.7
[M+Na-2H]- 147.02883 126.9
[M]+ 126.05361 122.3
[M]- 126.05471 122.3
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