CID 104563

53681-48-4

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CCCN1C(=CC(=O)N(C1=O)C)N
InChI
InChI=1S/C8H13N3O2/c1-3-4-11-6(9)5-7(12)10(2)8(11)13/h5H,3-4,9H2,1-2H3
InChIKey
WPDWDWXAXRTNAQ-UHFFFAOYSA-N
Compound name
6-amino-3-methyl-1-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

14
Patents

183.10077 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 137.2
[M+Na]+ 206.08999 148.5
[M-H]- 182.09349 138.9
[M+NH4]+ 201.13459 154.9
[M+K]+ 222.06393 145.8
[M+H-H2O]+ 166.09803 130.3
[M+HCOO]- 228.09897 160.6
[M+CH3COO]- 242.11462 185.1
[M+Na-2H]- 204.07544 142.3
[M]+ 183.10022 139.0
[M]- 183.10132 139.0
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