CID 203373

1-methyl-1-(1-(2-thienyl)cyclohexyl)piperidinium

Structural Information

Molecular Formula
C16H26NS
SMILES
C[N+]1(CCCCC1)C2(CCCCC2)C3=CC=CS3
InChI
InChI=1S/C16H26NS/c1-17(12-6-3-7-13-17)16(10-4-2-5-11-16)15-9-8-14-18-15/h8-9,14H,2-7,10-13H2,1H3/q+1
InChIKey
YKVLJZKEXGXAMH-UHFFFAOYSA-N
Compound name
1-methyl-1-(1-thiophen-2-ylcyclohexyl)piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1786 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.18588 162.6
[M+Na]+ 287.16782 165.7
[M-H]- 263.17132 169.4
[M+NH4]+ 282.21242 183.0
[M+K]+ 303.14176 156.6
[M+H-H2O]+ 247.17586 157.4
[M+HCOO]- 309.17680 173.4
[M+CH3COO]- 323.19245 185.4
[M+Na-2H]- 285.15327 164.7
[M]+ 264.17805 153.9
[M]- 264.17915 153.9
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.