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

literature stripe

Patent stripe

patents stripe