CID 479226

1-[[(1s,2r)-2-[(1s)-1,2-dihydroxyethyl]cyclopropyl]methyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H14N2O4
SMILES
C1[C@@H]([C@@H]1[C@@H](CO)O)CN2C=CC(=O)NC2=O
InChI
InChI=1S/C10H14N2O4/c13-5-8(14)7-3-6(7)4-12-2-1-9(15)11-10(12)16/h1-2,6-8,13-14H,3-5H2,(H,11,15,16)/t6-,7-,8-/m1/s1
InChIKey
RVGAGZZSGRDKSM-BWZBUEFSSA-N
Compound name
1-[[(1S,2R)-2-[(1S)-1,2-dihydroxyethyl]cyclopropyl]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

226.09535 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 151.3
[M+Na]+ 249.08457 161.6
[M-H]- 225.08807 152.8
[M+NH4]+ 244.12917 160.4
[M+K]+ 265.05851 155.7
[M+H-H2O]+ 209.09261 144.1
[M+HCOO]- 271.09355 169.1
[M+CH3COO]- 285.10920 185.3
[M+Na-2H]- 247.07002 154.2
[M]+ 226.09480 153.1
[M]- 226.09590 153.1
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.