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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	208.108046	143.6
[M+Na]+	230.089988	152.5
[M-H]-	206.093494	146.6
[M+NH4]+	225.134593	160.7
[M+K]+	246.063928	148.8
[M+H-H2O]+	190.098030	135.9
[M+HCOO]-	252.098971	165.6
[M+CH3COO]-	266.114621	184.2
[M+Na-2H]-	228.075436	147.0
[M]+	207.10022142	141.4
[M]-	207.10131858	141.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.