CID 488454

1-[(1s,3r)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-imino-pyrimidin-2-one

Structural Information

Molecular Formula
C9H14N4O2
SMILES
C1CN(C[C@@H]1CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C9H14N4O2/c10-8-2-4-13(9(15)11-8)12-3-1-7(5-12)6-14/h2,4,7,14H,1,3,5-6H2,(H2,10,11,15)/t7-/m1/s1
InChIKey
MEPKKZHIOMYHNX-SSDOTTSWSA-N
Compound name
4-amino-1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11168 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11896 145.5
[M+Na]+ 233.10090 153.8
[M-H]- 209.10440 146.9
[M+NH4]+ 228.14550 161.0
[M+K]+ 249.07484 150.4
[M+H-H2O]+ 193.10894 137.0
[M+HCOO]- 255.10988 165.0
[M+CH3COO]- 269.12553 184.5
[M+Na-2H]- 231.08635 148.4
[M]+ 210.11113 142.1
[M]- 210.11223 142.1
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.