CID 13425520

96160-01-9

Structural Information

Molecular Formula
C11H14NS
SMILES
CC1=CC=C(C=C1)C2=[N+](CCS2)C
InChI
InChI=1S/C11H14NS/c1-9-3-5-10(6-4-9)11-12(2)7-8-13-11/h3-6H,7-8H2,1-2H3/q+1
InChIKey
PPLJLJUDENGRDW-UHFFFAOYSA-N
Compound name
3-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0847 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09198 140.3
[M+Na]+ 215.07392 149.6
[M-H]- 191.07742 146.8
[M+NH4]+ 210.11852 161.2
[M+K]+ 231.04786 140.8
[M+H-H2O]+ 175.08196 136.7
[M+HCOO]- 237.08290 158.5
[M+CH3COO]- 251.09855 175.6
[M+Na-2H]- 213.05937 144.0
[M]+ 192.08415 140.0
[M]- 192.08525 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.