CID 698895

(4-phenyl-1,3-thiazol-2-yl)methanol

Structural Information

Molecular Formula
C10H9NOS
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)CO
InChI
InChI=1S/C10H9NOS/c12-6-10-11-9(7-13-10)8-4-2-1-3-5-8/h1-5,7,12H,6H2
InChIKey
TYUWZKSJURGPRJ-UHFFFAOYSA-N
Compound name
(4-phenyl-1,3-thiazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

106
Patents

191.04048 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.04776 138.1
[M+Na]+ 214.02970 147.7
[M-H]- 190.03320 143.1
[M+NH4]+ 209.07430 158.3
[M+K]+ 230.00364 143.7
[M+H-H2O]+ 174.03774 131.9
[M+HCOO]- 236.03868 157.2
[M+CH3COO]- 250.05433 151.8
[M+Na-2H]- 212.01515 141.3
[M]+ 191.03993 139.5
[M]- 191.04103 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe