CID 49778039

130464-63-0

Structural Information

Molecular Formula
C10H15N3O3
SMILES
C1[C@@H]([C@H]([C@@H]1N2C=CC(=NC2=O)N)CO)CO
InChI
InChI=1S/C10H15N3O3/c11-9-1-2-13(10(16)12-9)8-3-6(4-14)7(8)5-15/h1-2,6-8,14-15H,3-5H2,(H2,11,12,16)/t6-,7-,8-/m1/s1
InChIKey
YFKYBKVHTQUYEF-BWZBUEFSSA-N
Compound name
4-amino-1-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
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 151.5
[M+Na]+ 248.10056 158.2
[M-H]- 224.10406 152.7
[M+NH4]+ 243.14516 159.0
[M+K]+ 264.07450 158.0
[M+H-H2O]+ 208.10860 138.0
[M+HCOO]- 270.10954 169.1
[M+CH3COO]- 284.12519 190.8
[M+Na-2H]- 246.08601 153.6
[M]+ 225.11079 157.9
[M]- 225.11189 157.9
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