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

17
Patents

140.06981 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.07709 126.3
[M+Na]+ 163.05903 135.6
[M-H]- 139.06253 126.4
[M+NH4]+ 158.10363 144.2
[M+K]+ 179.03297 132.7
[M+H-H2O]+ 123.06707 119.5
[M+HCOO]- 185.06801 149.9
[M+CH3COO]- 199.08366 174.8
[M+Na-2H]- 161.04448 134.4
[M]+ 140.06926 123.0
[M]- 140.07036 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