CID 13425524

4,5-dihydro-2-(4-methoxyphenyl)-3-methylthiazolium iodide

Structural Information

Molecular Formula
C11H14NOS
SMILES
C[N+]1=C(SCC1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C11H14NOS/c1-12-7-8-14-11(12)9-3-5-10(13-2)6-4-9/h3-6H,7-8H2,1-2H3/q+1
InChIKey
UPNDSTDABWHERU-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1,3-thiazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0796 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08688 144.3
[M+Na]+ 231.06882 153.4
[M-H]- 207.07232 150.8
[M+NH4]+ 226.11342 164.4
[M+K]+ 247.04276 145.0
[M+H-H2O]+ 191.07686 140.5
[M+HCOO]- 253.07780 162.7
[M+CH3COO]- 267.09345 177.5
[M+Na-2H]- 229.05427 148.1
[M]+ 208.07905 145.4
[M]- 208.08015 145.4
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.