CID 165459805

6-(azetidin-3-yl)pyrimidine-2,4-diolhydrochloride

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1C(CN1)C2=CC(=O)NC(=O)N2
InChI
InChI=1S/C7H9N3O2/c11-6-1-5(4-2-8-3-4)9-7(12)10-6/h1,4,8H,2-3H2,(H2,9,10,11,12)
InChIKey
DPDKQFONGINJIC-UHFFFAOYSA-N
Compound name
6-(azetidin-3-yl)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.06947 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 134.5
[M+Na]+ 190.05869 142.1
[M-H]- 166.06219 133.3
[M+NH4]+ 185.10329 142.5
[M+K]+ 206.03263 140.4
[M+H-H2O]+ 150.06673 121.6
[M+HCOO]- 212.06767 150.1
[M+CH3COO]- 226.08332 172.8
[M+Na-2H]- 188.04414 140.0
[M]+ 167.06892 137.6
[M]- 167.07002 137.6
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.