CID 215259

35327-72-1

Structural Information

Molecular Formula
C12H16NS
SMILES
C[N+]12CCCCC1SC3=CC=CC=C23
InChI
InChI=1S/C12H16NS/c1-13-9-5-4-8-12(13)14-11-7-3-2-6-10(11)13/h2-3,6-7,12H,4-5,8-9H2,1H3/q+1
InChIKey
LLNLHXRNMUGZTF-UHFFFAOYSA-N
Compound name
10-methyl-2,3,4,4a-tetrahydro-1H-pyrido[2,1-b][1,3]benzothiazol-10-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10034 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10762 141.2
[M+Na]+ 229.08956 149.3
[M-H]- 205.09306 145.2
[M+NH4]+ 224.13416 165.3
[M+K]+ 245.06350 140.0
[M+H-H2O]+ 189.09760 138.2
[M+HCOO]- 251.09854 154.4
[M+CH3COO]- 265.11419 177.2
[M+Na-2H]- 227.07501 148.1
[M]+ 206.09979 138.3
[M]- 206.10089 138.3
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.