CID 471749

4-amino-1-[(1r,4s)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C10H13N3O2
SMILES
C1[C@@H](C=C[C@@H]1N2C=CC(=NC2=O)N)CO
InChI
InChI=1S/C10H13N3O2/c11-9-3-4-13(10(15)12-9)8-2-1-7(5-8)6-14/h1-4,7-8,14H,5-6H2,(H2,11,12,15)/t7-,8+/m1/s1
InChIKey
WRXOOTISAPABOK-SFYZADRCSA-N
Compound name
4-amino-1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

207.10077 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 143.6
[M+Na]+ 230.08999 152.5
[M-H]- 206.09349 146.6
[M+NH4]+ 225.13459 160.7
[M+K]+ 246.06393 148.8
[M+H-H2O]+ 190.09803 135.9
[M+HCOO]- 252.09897 165.6
[M+CH3COO]- 266.11462 184.2
[M+Na-2H]- 228.07544 147.0
[M]+ 207.10022 141.4
[M]- 207.10132 141.4
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.