CID 591743

30686-73-8

Structural Information

Molecular Formula
C10H9NOS
SMILES
CC1=NC(=CS1)C2=CC=C(C=C2)O
InChI
InChI=1S/C10H9NOS/c1-7-11-10(6-13-7)8-2-4-9(12)5-3-8/h2-6,12H,1H3
InChIKey
HOAYTTLLVORNLA-UHFFFAOYSA-N
Compound name
4-(2-methyl-1,3-thiazol-4-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

92
Patents

191.04048 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.04776 137.9
[M+Na]+ 214.02970 148.4
[M-H]- 190.03320 143.2
[M+NH4]+ 209.07430 158.4
[M+K]+ 230.00364 144.3
[M+H-H2O]+ 174.03774 131.9
[M+HCOO]- 236.03868 156.9
[M+CH3COO]- 250.05433 152.0
[M+Na-2H]- 212.01515 140.4
[M]+ 191.03993 139.7
[M]- 191.04103 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

literature stripe

Patent stripe

patents stripe