CID 2308818

Thiazolium, 2,3-dimethyl-4-phenyl-, iodide

Structural Information

Molecular Formula
C11H12NS
SMILES
CC1=[N+](C(=CS1)C2=CC=CC=C2)C
InChI
InChI=1S/C11H12NS/c1-9-12(2)11(8-13-9)10-6-4-3-5-7-10/h3-8H,1-2H3/q+1
InChIKey
LBQKKQHTIUHCOS-UHFFFAOYSA-N
Compound name
2,3-dimethyl-4-phenyl-1,3-thiazol-3-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

190.06905 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07633 138.9
[M+Na]+ 213.05827 149.3
[M-H]- 189.06177 145.8
[M+NH4]+ 208.10287 159.9
[M+K]+ 229.03221 140.2
[M+H-H2O]+ 173.06631 135.3
[M+HCOO]- 235.06725 158.6
[M+CH3COO]- 249.08290 175.3
[M+Na-2H]- 211.04372 143.5
[M]+ 190.06850 140.0
[M]- 190.06960 140.0
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