CID 511792

654054-85-0

Structural Information

Molecular Formula
C11H15NO4
SMILES
CC1=C(C(=O)C=CN1[C@H]2CC[C@H](O2)CO)O
InChI
InChI=1S/C11H15NO4/c1-7-11(15)9(14)4-5-12(7)10-3-2-8(6-13)16-10/h4-5,8,10,13,15H,2-3,6H2,1H3/t8-,10+/m0/s1
InChIKey
ZNUBBTAJPLKMBM-WCBMZHEXSA-N
Compound name
3-hydroxy-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

225.10011 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.107386 147.2
[M+Na]+ 248.089328 155.9
[M-H]- 224.092834 151.3
[M+NH4]+ 243.133933 163.7
[M+K]+ 264.063268 153.9
[M+H-H2O]+ 208.097370 141.1
[M+HCOO]- 270.098311 166.2
[M+CH3COO]- 284.113961 183.6
[M+Na-2H]- 246.074776 149.6
[M]+ 225.09956142 147.3
[M]- 225.10065858 147.3
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.