CID 4962777

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
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

literature stripe

Patent stripe

patents stripe