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]+ 226.11862 151.9
[M+Na]+ 248.10056 158.7
[M-H]- 224.10406 153.2
[M+NH4]+ 243.14516 161.2
[M+K]+ 264.07450 158.6
[M+H-H2O]+ 208.10860 139.5
[M+HCOO]- 270.10954 169.6
[M+CH3COO]- 284.12519 189.1
[M+Na-2H]- 246.08601 156.0
[M]+ 225.11079 158.4
[M]- 225.11189 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.