CID 488458

1-[(2r,5s)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-methoxy-5-methyl-pyrimidin-2-one

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CC1=CN(C(=O)N=C1OC)[C@H]2C=C[C@H](O2)CO
InChI
InChI=1S/C11H14N2O4/c1-7-5-13(11(15)12-10(7)16-2)9-4-3-8(6-14)17-9/h3-5,8-9,14H,6H2,1-2H3/t8-,9+/m0/s1
InChIKey
HVGFZXHXFFJSCJ-DTWKUNHWSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-methoxy-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.09535 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 149.7
[M+Na]+ 261.08457 159.8
[M-H]- 237.08807 154.1
[M+NH4]+ 256.12917 165.0
[M+K]+ 277.05851 158.3
[M+H-H2O]+ 221.09261 142.2
[M+HCOO]- 283.09355 170.3
[M+CH3COO]- 297.10920 188.4
[M+Na-2H]- 259.07002 153.2
[M]+ 238.09480 153.4
[M]- 238.09590 153.4
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.