CID 135408763

2,4-diamino-6-hydroxypyrimidine

Structural Information

Molecular Formula
C4H6N4O
SMILES
C1=C(N=C(NC1=O)N)N
InChI
InChI=1S/C4H6N4O/c5-2-1-3(9)8-4(6)7-2/h1H,(H5,5,6,7,8,9)
InChIKey
SWELIMKTDYHAOY-UHFFFAOYSA-N
Compound name
2,4-diamino-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

148
References

3752
Patents

126.05416 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.06144 122.2
[M+Na]+ 149.04338 132.0
[M-H]- 125.04688 122.0
[M+NH4]+ 144.08798 140.4
[M+K]+ 165.01732 129.0
[M+H-H2O]+ 109.05142 115.6
[M+HCOO]- 171.05236 145.6
[M+CH3COO]- 185.06801 171.2
[M+Na-2H]- 147.02883 129.7
[M]+ 126.05361 117.5
[M]- 126.05471 117.5
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