CID 476779

4-amino-1-[(1s,3r)-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one

Structural Information

Molecular Formula
C10H15N3O2
SMILES
C1C[C@@H](C[C@@H]1CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C10H15N3O2/c11-9-3-4-13(10(15)12-9)8-2-1-7(5-8)6-14/h3-4,7-8,14H,1-2,5-6H2,(H2,11,12,15)/t7-,8+/m1/s1
InChIKey
FPPFSNOWBUKXRB-SFYZADRCSA-N
Compound name
4-amino-1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

209.11642 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12370 145.2
[M+Na]+ 232.10564 153.1
[M-H]- 208.10914 147.9
[M+NH4]+ 227.15024 162.1
[M+K]+ 248.07958 149.6
[M+H-H2O]+ 192.11368 137.5
[M+HCOO]- 254.11462 165.7
[M+CH3COO]- 268.13027 184.5
[M+Na-2H]- 230.09109 147.7
[M]+ 209.11587 141.6
[M]- 209.11697 141.6
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.