CID 21444307

58196-43-3

Structural Information

Molecular Formula
C9H13N3O
SMILES
C1CCC(C1)N2C=CC(=NC2=O)N
InChI
InChI=1S/C9H13N3O/c10-8-5-6-12(9(13)11-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,10,11,13)
InChIKey
DXFLKFBBEGOBFE-UHFFFAOYSA-N
Compound name
4-amino-1-cyclopentylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1160
Patents

179.10587 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.113146 137.2
[M+Na]+ 202.095088 145.1
[M-H]- 178.098594 140.9
[M+NH4]+ 197.139693 155.8
[M+K]+ 218.069028 142.2
[M+H-H2O]+ 162.103130 129.2
[M+HCOO]- 224.104071 159.3
[M+CH3COO]- 238.119721 180.6
[M+Na-2H]- 200.080536 141.3
[M]+ 179.10532142 133.2
[M]- 179.10641858 133.2
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