CID 182082

3119-94-6

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

205
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 129.8
[M+Na]+ 187.04261 141.3
[M-H]- 163.04611 134.6
[M+NH4]+ 182.08721 153.1
[M+K]+ 203.01655 132.6
[M+H-H2O]+ 147.05065 127.2
[M+HCOO]- 209.05159 150.0
[M+CH3COO]- 223.06724 169.9
[M+Na-2H]- 185.02806 137.9
[M]+ 164.05284 132.8
[M]- 164.05394 132.8
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