CID 469804

210355-09-2

Structural Information

Molecular Formula
C9H11N3O2
SMILES
C1[C@H](C1=CN2C=CC(=NC2=O)N)CO
InChI
InChI=1S/C9H11N3O2/c10-8-1-2-12(9(14)11-8)4-6-3-7(6)5-13/h1-2,4,7,13H,3,5H2,(H2,10,11,14)/t7-/m0/s1
InChIKey
GYYLRYGFKNVPND-ZETCQYMHSA-N
Compound name
4-amino-1-[[(2R)-2-(hydroxymethyl)cyclopropylidene]methyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

12
Patents

193.08513 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09241 145.7
[M+Na]+ 216.07435 157.1
[M-H]- 192.07785 149.6
[M+NH4]+ 211.11895 157.2
[M+K]+ 232.04829 151.3
[M+H-H2O]+ 176.08239 138.2
[M+HCOO]- 238.08333 167.8
[M+CH3COO]- 252.09898 185.5
[M+Na-2H]- 214.05980 150.5
[M]+ 193.08458 146.7
[M]- 193.08568 146.7
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.