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 137.5
[M+Na]+ 215.02496 147.7
[M-H]- 191.02846 141.3
[M+NH4]+ 210.06956 156.4
[M+K]+ 230.99890 143.7
[M+H-H2O]+ 175.03300 130.7
[M+HCOO]- 237.03394 155.7
[M+CH3COO]- 251.04959 151.0
[M+Na-2H]- 213.01041 141.2
[M]+ 192.03519 139.1
[M]- 192.03629 139.1
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