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 152.7
[M+Na]+ 256.07665 162.3
[M-H]- 232.08015 157.9
[M+NH4]+ 251.12125 171.7
[M+K]+ 272.05059 158.0
[M+H-H2O]+ 216.08469 146.8
[M+HCOO]- 278.08563 169.2
[M+CH3COO]- 292.10128 186.7
[M+Na-2H]- 254.06210 154.5
[M]+ 233.08688 155.0
[M]- 233.08798 155.0
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