CID 182082

3-ethylbenzothiazolium iodide

Structural Information

Molecular Formula
C9H10NS
SMILES
CC[N+]1=CSC2=CC=CC=C21
InChI
InChI=1S/C9H10NS/c1-2-10-7-11-9-6-4-3-5-8(9)10/h3-7H,2H2,1H3/q+1
InChIKey
QGSALMLCNHOVOE-UHFFFAOYSA-N
Compound name
3-ethyl-1,3-benzothiazol-3-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

195
Patents

164.05339 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06067 126.8
[M+Na]+ 187.04261 143.5
[M+NH4]+ 182.08721 138.9
[M+K]+ 203.01655 135.9
[M-H]- 163.04611 131.9
[M+Na-2H]- 185.02806 135.8
[M]+ 164.05284 131.7
[M]- 164.05394 131.7
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

patents stripe