CID 135500477

45751-74-4

Structural Information

Molecular Formula
C5H8N4O
SMILES
CNC1=C(C(=O)NC=N1)N
InChI
InChI=1S/C5H8N4O/c1-7-4-3(6)5(10)9-2-8-4/h2H,6H2,1H3,(H2,7,8,9,10)
InChIKey
FEQOQKWDIPJOQQ-UHFFFAOYSA-N
Compound name
5-amino-4-(methylamino)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

140.06981 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.077086 126.3
[M+Na]+ 163.059028 135.6
[M-H]- 139.062534 126.4
[M+NH4]+ 158.103633 144.2
[M+K]+ 179.032968 132.7
[M+H-H2O]+ 123.067070 119.5
[M+HCOO]- 185.068011 149.9
[M+CH3COO]- 199.083661 174.8
[M+Na-2H]- 161.044476 134.4
[M]+ 140.06926142 123.0
[M]- 140.07035858 123.0
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