CID 6482126

792881-73-3

Structural Information

Molecular Formula
C10H12N2O2S
SMILES
CC1=CC(=O)C(=CN1CC2=NCCS2)O
InChI
InChI=1S/C10H12N2O2S/c1-7-4-8(13)9(14)5-12(7)6-10-11-2-3-15-10/h4-5,14H,2-3,6H2,1H3
InChIKey
SOHUZOLSNSBQGI-UHFFFAOYSA-N
Compound name
1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-5-hydroxy-2-methylpyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.06195 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06923 146.7
[M+Na]+ 247.05117 157.0
[M-H]- 223.05467 150.5
[M+NH4]+ 242.09577 164.5
[M+K]+ 263.02511 152.9
[M+H-H2O]+ 207.05921 139.9
[M+HCOO]- 269.06015 163.3
[M+CH3COO]- 283.07580 183.5
[M+Na-2H]- 245.03662 147.4
[M]+ 224.06140 148.6
[M]- 224.06250 148.6
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.