CID 53621887

1-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethan-1-ol

Structural Information

Molecular Formula
C13H15NOS
SMILES
CC1=C(SC(=N1)CC2=CC=CC=C2)C(C)O
InChI
InChI=1S/C13H15NOS/c1-9-13(10(2)15)16-12(14-9)8-11-6-4-3-5-7-11/h3-7,10,15H,8H2,1-2H3
InChIKey
KTWHUDHHHQIMHN-UHFFFAOYSA-N
Compound name
1-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.08743 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09471 152.3
[M+Na]+ 256.07665 165.1
[M+NH4]+ 251.12125 161.3
[M+K]+ 272.05059 158.0
[M-H]- 232.08015 155.8
[M+Na-2H]- 254.06210 159.2
[M]+ 233.08688 155.6
[M]- 233.08798 155.6
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

No patent data available for this compound.