CID 213652

26851-78-5

Structural Information

Molecular Formula
C10H12NS
SMILES
C[N+]1=C(SCC1)C2=CC=CC=C2
InChI
InChI=1S/C10H12NS/c1-11-7-8-12-10(11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3/q+1
InChIKey
VOHVEWSQAQINSI-UHFFFAOYSA-N
Compound name
3-methyl-2-phenyl-4,5-dihydro-1,3-thiazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.06905 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07633 136.2
[M+Na]+ 201.05827 145.1
[M-H]- 177.06177 142.6
[M+NH4]+ 196.10287 157.4
[M+K]+ 217.03221 136.6
[M+H-H2O]+ 161.06631 132.6
[M+HCOO]- 223.06725 154.9
[M+CH3COO]- 237.08290 171.6
[M+Na-2H]- 199.04372 141.1
[M]+ 178.06850 135.2
[M]- 178.06960 135.2
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.