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]+ 206.06342 143.0
[M+Na]+ 228.04536 151.8
[M-H]- 204.04886 147.9
[M+NH4]+ 223.08996 162.6
[M+K]+ 244.01930 148.1
[M+H-H2O]+ 188.05340 136.7
[M+HCOO]- 250.05434 160.7
[M+CH3COO]- 264.06999 156.2
[M+Na-2H]- 226.03081 144.7
[M]+ 205.05559 144.2
[M]- 205.05669 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