CID 135854957

4-pyrimidinol, 6-amino-5-ethyl-

Structural Information

Molecular Formula
C6H9N3O
SMILES
CCC1=C(N=CNC1=O)N
InChI
InChI=1S/C6H9N3O/c1-2-4-5(7)8-3-9-6(4)10/h3H,2H2,1H3,(H3,7,8,9,10)
InChIKey
GMXDHHPKBRZRSJ-UHFFFAOYSA-N
Compound name
4-amino-5-ethyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.07455 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 126.5
[M+Na]+ 162.06377 138.8
[M+NH4]+ 157.10837 133.6
[M+K]+ 178.03771 133.6
[M-H]- 138.06727 127.1
[M+Na-2H]- 160.04922 132.6
[M]+ 139.07400 128.1
[M]- 139.07510 128.1
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

No patent data available for this compound.