CID 12263625

1-(4-phenyl-1,3-thiazol-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C11H11NOS
SMILES
CC(C1=NC(=CS1)C2=CC=CC=C2)O
InChI
InChI=1S/C11H11NOS/c1-8(13)11-12-10(7-14-11)9-5-3-2-4-6-9/h2-8,13H,1H3
InChIKey
PYECMWLNMKANBM-UHFFFAOYSA-N
Compound name
1-(4-phenyl-1,3-thiazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.05614 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.063416 143.0
[M+Na]+ 228.045358 151.8
[M-H]- 204.048864 147.9
[M+NH4]+ 223.089963 162.6
[M+K]+ 244.019298 148.1
[M+H-H2O]+ 188.053400 136.7
[M+HCOO]- 250.054341 160.7
[M+CH3COO]- 264.069991 156.2
[M+Na-2H]- 226.030806 144.7
[M]+ 205.05559142 144.2
[M]- 205.05668858 144.2
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