CID 43535923

3-(4-tert-butyl-1,3-thiazol-2-yl)phenol hydrochloride

Structural Information

Molecular Formula
C13H15NOS
SMILES
CC(C)(C)C1=CSC(=N1)C2=CC(=CC=C2)O
InChI
InChI=1S/C13H15NOS/c1-13(2,3)11-8-16-12(14-11)9-5-4-6-10(15)7-9/h4-8,15H,1-3H3
InChIKey
MOEAJPCCHSZOGB-UHFFFAOYSA-N
Compound name
3-(4-tert-butyl-1,3-thiazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

233.08743 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09471 153.7
[M+Na]+ 256.07665 166.5
[M+NH4]+ 251.12125 162.7
[M+K]+ 272.05059 159.9
[M-H]- 232.08015 156.8
[M+Na-2H]- 254.06210 160.9
[M]+ 233.08688 157.1
[M]- 233.08798 157.1
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