CID 215257

35327-71-0

Structural Information

Molecular Formula
C11H14NS
SMILES
C[N+]12CCCC1SC3=CC=CC=C23
InChI
InChI=1S/C11H14NS/c1-12-8-4-7-11(12)13-10-6-3-2-5-9(10)12/h2-3,5-6,11H,4,7-8H2,1H3/q+1
InChIKey
MXROKEZLLPEOPI-UHFFFAOYSA-N
Compound name
9-methyl-1,2,3,3a-tetrahydropyrrolo[2,1-b][1,3]benzothiazol-9-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0847 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09198 139.2
[M+Na]+ 215.07392 149.0
[M-H]- 191.07742 144.0
[M+NH4]+ 210.11852 165.9
[M+K]+ 231.04786 140.3
[M+H-H2O]+ 175.08196 137.2
[M+HCOO]- 237.08290 155.1
[M+CH3COO]- 251.09855 174.4
[M+Na-2H]- 213.05937 144.8
[M]+ 192.08415 138.4
[M]- 192.08525 138.4
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.