CID 479230

4-amino-1-[[(1s,2r)-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one

Structural Information

Molecular Formula
C9H13N3O2
SMILES
C1[C@@H]([C@@H]1CO)CN2C=CC(=NC2=O)N
InChI
InChI=1S/C9H13N3O2/c10-8-1-2-12(9(14)11-8)4-6-3-7(6)5-13/h1-2,6-7,13H,3-5H2,(H2,10,11,14)/t6-,7+/m1/s1
InChIKey
ZLRKXZUOGXZPOB-RQJHMYQMSA-N
Compound name
4-amino-1-[[(1S,2R)-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

195.10077 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.108046 146.0
[M+Na]+ 218.089988 157.1
[M-H]- 194.093494 149.9
[M+NH4]+ 213.134593 157.4
[M+K]+ 234.063928 151.9
[M+H-H2O]+ 178.098030 138.4
[M+HCOO]- 240.098971 168.0
[M+CH3COO]- 254.114621 186.9
[M+Na-2H]- 216.075436 150.9
[M]+ 195.10022142 147.8
[M]- 195.10131858 147.8
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

No patent data available for this compound.