CID 667561

2-methyl-4-(p-tolyl)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

83
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 139.7
[M+Na]+ 212.05044 154.4
[M+NH4]+ 207.09504 150.2
[M+K]+ 228.02438 146.1
[M-H]- 188.05394 144.6
[M+Na-2H]- 210.03589 148.5
[M]+ 189.06067 143.9
[M]- 189.06177 143.9
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

patents stripe