CID 466401

C-l-d4u

Structural Information

Molecular Formula
C10H12N2O3
SMILES
C1[C@H](C=C[C@H]1N2C=CC(=O)NC2=O)CO
InChI
InChI=1S/C10H12N2O3/c13-6-7-1-2-8(5-7)12-4-3-9(14)11-10(12)15/h1-4,7-8,13H,5-6H2,(H,11,14,15)/t7-,8+/m0/s1
InChIKey
ZHTKIUNJQDRMKA-JGVFFNPUSA-N
Compound name
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

208.0848 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09208 142.3
[M+Na]+ 231.07402 151.8
[M-H]- 207.07752 144.5
[M+NH4]+ 226.11862 159.1
[M+K]+ 247.04796 147.6
[M+H-H2O]+ 191.08206 135.1
[M+HCOO]- 253.08300 162.7
[M+CH3COO]- 267.09865 178.7
[M+Na-2H]- 229.05947 145.8
[M]+ 208.08425 140.7
[M]- 208.08535 140.7
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.