CID 63554638

2-(3-aminopropyl)-6-hydroxy-3,4-dihydropyrimidin-4-one hydrochloride

Structural Information

Molecular Formula
C7H11N3O2
SMILES
C1=C(N=C(NC1=O)CCCN)O
InChI
InChI=1S/C7H11N3O2/c8-3-1-2-5-9-6(11)4-7(12)10-5/h4H,1-3,8H2,(H2,9,10,11,12)
InChIKey
FQGNRDLVJVYZCK-UHFFFAOYSA-N
Compound name
2-(3-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.08513 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 135.0
[M+Na]+ 192.07435 143.7
[M-H]- 168.07785 133.3
[M+NH4]+ 187.11895 151.2
[M+K]+ 208.04829 140.1
[M+H-H2O]+ 152.08239 128.2
[M+HCOO]- 214.08333 155.6
[M+CH3COO]- 228.09898 175.5
[M+Na-2H]- 190.05980 141.1
[M]+ 169.08458 132.6
[M]- 169.08568 132.6
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.