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 151.6
[M+Na]+ 256.07665 160.4
[M-H]- 232.08015 156.6
[M+NH4]+ 251.12125 170.4
[M+K]+ 272.05059 156.2
[M+H-H2O]+ 216.08469 145.2
[M+HCOO]- 278.08563 168.6
[M+CH3COO]- 292.10128 187.8
[M+Na-2H]- 254.06210 151.6
[M]+ 233.08688 153.9
[M]- 233.08798 153.9
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.