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]+ 234.094706 151.6
[M+Na]+ 256.076648 160.4
[M-H]- 232.080154 156.6
[M+NH4]+ 251.121253 170.4
[M+K]+ 272.050588 156.2
[M+H-H2O]+ 216.084690 145.2
[M+HCOO]- 278.085631 168.6
[M+CH3COO]- 292.101281 187.8
[M+Na-2H]- 254.062096 151.6
[M]+ 233.08688142 153.9
[M]- 233.08797858 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.