CID 240882

696-10-6

Structural Information

Molecular Formula
C5H9N3O
SMILES
CN1CCC(=NC1=O)N
InChI
InChI=1S/C5H9N3O/c1-8-3-2-4(6)7-5(8)9/h2-3H2,1H3,(H2,6,7,9)
InChIKey
RJJBUZDUYVHCRD-UHFFFAOYSA-N
Compound name
6-amino-3-methyl-4,5-dihydropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

127.07456 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.08184 124.9
[M+Na]+ 150.06378 133.4
[M-H]- 126.06728 125.7
[M+NH4]+ 145.10838 144.2
[M+K]+ 166.03772 132.1
[M+H-H2O]+ 110.07182 118.2
[M+HCOO]- 172.07276 146.1
[M+CH3COO]- 186.08841 172.8
[M+Na-2H]- 148.04923 131.1
[M]+ 127.07401 121.3
[M]- 127.07511 121.3
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