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]+ 196.10805 146.0
[M+Na]+ 218.08999 157.1
[M-H]- 194.09349 149.9
[M+NH4]+ 213.13459 157.4
[M+K]+ 234.06393 151.9
[M+H-H2O]+ 178.09803 138.4
[M+HCOO]- 240.09897 168.0
[M+CH3COO]- 254.11462 186.9
[M+Na-2H]- 216.07544 150.9
[M]+ 195.10022 147.8
[M]- 195.10132 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.