CID 217403

38795-19-6

Structural Information

Molecular Formula
C16H20NOS2
SMILES
C[N+]1(CC(CC(=C(C2=CC=CS2)C3=CC=CS3)C1)O)C
InChI
InChI=1S/C16H20NOS2/c1-17(2)10-12(9-13(18)11-17)16(14-5-3-7-19-14)15-6-4-8-20-15/h3-8,13,18H,9-11H2,1-2H3/q+1
InChIKey
RWFOJJJGTOZAMV-UHFFFAOYSA-N
Compound name
5-(dithiophen-2-ylmethylidene)-1,1-dimethylpiperidin-1-ium-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.09863 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.10591 167.2
[M+Na]+ 329.08785 175.5
[M-H]- 305.09135 175.0
[M+NH4]+ 324.13245 186.6
[M+K]+ 345.06179 164.4
[M+H-H2O]+ 289.09589 164.6
[M+HCOO]- 351.09683 177.3
[M+CH3COO]- 365.11248 189.6
[M+Na-2H]- 327.07330 166.0
[M]+ 306.09808 165.3
[M]- 306.09918 165.3
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.