CID 209194

2-(p-anisyl)-3,4-dimethylthiazolium iodide

Structural Information

Molecular Formula
C12H14NOS
SMILES
CC1=CSC(=[N+]1C)C2=CC=C(C=C2)OC
InChI
InChI=1S/C12H14NOS/c1-9-8-15-12(13(9)2)10-4-6-11(14-3)7-5-10/h4-8H,1-3H3/q+1
InChIKey
RMWRDMBWHKYOIV-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-3,4-dimethyl-1,3-thiazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0796 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08688 147.0
[M+Na]+ 243.06882 157.6
[M-H]- 219.07232 154.1
[M+NH4]+ 238.11342 167.0
[M+K]+ 259.04276 148.7
[M+H-H2O]+ 203.07686 143.3
[M+HCOO]- 265.07780 166.5
[M+CH3COO]- 279.09345 181.3
[M+Na-2H]- 241.05427 150.6
[M]+ 220.07905 150.2
[M]- 220.08015 150.2
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.