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

4
Patents

233.08743 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.094706 152.7
[M+Na]+ 256.076648 162.3
[M-H]- 232.080154 157.9
[M+NH4]+ 251.121253 171.7
[M+K]+ 272.050588 158.0
[M+H-H2O]+ 216.084690 146.8
[M+HCOO]- 278.085631 169.2
[M+CH3COO]- 292.101281 186.7
[M+Na-2H]- 254.062096 154.5
[M]+ 233.08688142 155.0
[M]- 233.08797858 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