CID 33789077

3-(4-methyl-1,3-thiazol-2-yl)phenol

Structural Information

Molecular Formula
C10H9NOS
SMILES
CC1=CSC(=N1)C2=CC(=CC=C2)O
InChI
InChI=1S/C10H9NOS/c1-7-6-13-10(11-7)8-3-2-4-9(12)5-8/h2-6,12H,1H3
InChIKey
RUECVXQPANCVMH-UHFFFAOYSA-N
Compound name
3-(4-methyl-1,3-thiazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.04048 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.047756 137.9
[M+Na]+ 214.029698 148.4
[M-H]- 190.033204 143.2
[M+NH4]+ 209.074303 158.4
[M+K]+ 230.003638 144.3
[M+H-H2O]+ 174.037740 131.9
[M+HCOO]- 236.038681 156.9
[M+CH3COO]- 250.054331 152.0
[M+Na-2H]- 212.015146 140.4
[M]+ 191.03993142 139.7
[M]- 191.04102858 139.7
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.