CID 39238577

[2-(pyridin-4-yl)-1,3-thiazol-4-yl]methanol

Structural Information

Molecular Formula
C9H8N2OS
SMILES
C1=CN=CC=C1C2=NC(=CS2)CO
InChI
InChI=1S/C9H8N2OS/c12-5-8-6-13-9(11-8)7-1-3-10-4-2-7/h1-4,6,12H,5H2
InChIKey
HTBKSSGNHZFUDD-UHFFFAOYSA-N
Compound name
(2-pyridin-4-yl-1,3-thiazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

192.03574 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04302 138.7
[M+Na]+ 215.02496 152.0
[M+NH4]+ 210.06956 147.6
[M+K]+ 230.99890 145.2
[M-H]- 191.02846 141.6
[M+Na-2H]- 213.01041 146.6
[M]+ 192.03519 141.8
[M]- 192.03629 141.8
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

patents stripe