CID 667561

2-methyl-4-(4-methylphenyl)-1,3-thiazole

Structural Information

Molecular Formula
C11H11NS
SMILES
CC1=CC=C(C=C1)C2=CSC(=N2)C
InChI
InChI=1S/C11H11NS/c1-8-3-5-10(6-4-8)11-7-13-9(2)12-11/h3-7H,1-2H3
InChIKey
UNKWGSWPXYCNPW-UHFFFAOYSA-N
Compound name
2-methyl-4-(4-methylphenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

189.06122 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06850 138.2
[M+Na]+ 212.05044 148.9
[M-H]- 188.05394 144.9
[M+NH4]+ 207.09504 159.7
[M+K]+ 228.02438 145.1
[M+H-H2O]+ 172.05848 132.0
[M+HCOO]- 234.05942 158.3
[M+CH3COO]- 248.07507 152.8
[M+Na-2H]- 210.03589 140.6
[M]+ 189.06067 140.9
[M]- 189.06177 140.9
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