CID 6482127

1-(4,5-dihydrothiazol-2-ylmethyl)-3-hydroxy-pyridin-4-one

Structural Information

Molecular Formula
C9H10N2O2S
SMILES
C1CSC(=N1)CN2C=CC(=O)C(=C2)O
InChI
InChI=1S/C9H10N2O2S/c12-7-1-3-11(5-8(7)13)6-9-10-2-4-14-9/h1,3,5,13H,2,4,6H2
InChIKey
WOUMRZGEULJKPG-UHFFFAOYSA-N
Compound name
1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-3-hydroxypyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0463 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05358 142.3
[M+Na]+ 233.03552 152.3
[M-H]- 209.03902 146.0
[M+NH4]+ 228.08012 160.5
[M+K]+ 249.00946 148.4
[M+H-H2O]+ 193.04356 135.5
[M+HCOO]- 255.04450 159.3
[M+CH3COO]- 269.06015 155.3
[M+Na-2H]- 231.02097 144.3
[M]+ 210.04575 143.5
[M]- 210.04685 143.6
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.