CID 146000774

3-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(hydroxymethyl)-1-prop-2-ynyl-3h-pyridine-2,6-dione

Structural Information

Molecular Formula
C14H17NO6
SMILES
C#CCN1C(=O)C(C=C(C1=O)CO)C2CC(C(O2)CO)O
InChI
InChI=1S/C14H17NO6/c1-2-3-15-13(19)8(6-16)4-9(14(15)20)11-5-10(18)12(7-17)21-11/h1,4,9-12,16-18H,3,5-7H2
InChIKey
HFSDAANCDSZEAE-UHFFFAOYSA-N
Compound name
3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)-1-prop-2-ynyl-3H-pyridine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1056 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11288 161.8
[M+Na]+ 318.09482 171.0
[M-H]- 294.09832 162.2
[M+NH4]+ 313.13942 173.0
[M+K]+ 334.06876 166.8
[M+H-H2O]+ 278.10286 149.8
[M+HCOO]- 340.10380 171.1
[M+CH3COO]- 354.11945 202.6
[M+Na-2H]- 316.08027 159.3
[M]+ 295.10505 155.3
[M]- 295.10615 155.3
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.