CID 453453

3,3-ohme-cyclobutyl-c

Structural Information

Molecular Formula
C10H15N3O3
SMILES
C1C(CC1(CO)CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C10H15N3O3/c11-8-1-2-13(9(16)12-8)7-3-10(4-7,5-14)6-15/h1-2,7,14-15H,3-6H2,(H2,11,12,16)
InChIKey
HFCZYFJVJRCNSG-UHFFFAOYSA-N
Compound name
4-amino-1-[3,3-bis(hydroxymethyl)cyclobutyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11134 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.118616 151.9
[M+Na]+ 248.100558 158.7
[M-H]- 224.104064 153.2
[M+NH4]+ 243.145163 161.2
[M+K]+ 264.074498 158.6
[M+H-H2O]+ 208.108600 139.5
[M+HCOO]- 270.109541 169.6
[M+CH3COO]- 284.125191 189.1
[M+Na-2H]- 246.086006 156.0
[M]+ 225.11079142 158.4
[M]- 225.11188858 158.4
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.