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]+ 226.10739 147.2
[M+Na]+ 248.08933 155.9
[M-H]- 224.09283 151.3
[M+NH4]+ 243.13393 163.7
[M+K]+ 264.06327 153.9
[M+H-H2O]+ 208.09737 141.1
[M+HCOO]- 270.09831 166.2
[M+CH3COO]- 284.11396 183.6
[M+Na-2H]- 246.07478 149.6
[M]+ 225.09956 147.3
[M]- 225.10066 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.