CID 551875

5-methyl-2-phenyl-1,3-thiazole

Structural Information

Molecular Formula
C10H9NS
SMILES
CC1=CN=C(S1)C2=CC=CC=C2
InChI
InChI=1S/C10H9NS/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
BRUABIDQGMULTN-UHFFFAOYSA-N
Compound name
5-methyl-2-phenyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
Patents

175.04558 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.052856 134.1
[M+Na]+ 198.034798 144.4
[M-H]- 174.038304 140.5
[M+NH4]+ 193.079403 155.8
[M+K]+ 214.008738 140.8
[M+H-H2O]+ 158.042840 127.8
[M+HCOO]- 220.043781 154.5
[M+CH3COO]- 234.059431 148.7
[M+Na-2H]- 196.020246 137.7
[M]+ 175.04503142 136.0
[M]- 175.04612858 136.0
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