CID 3057404

1,1-dimethyl-4-(1-(2-thienyl)cyclohexyl)piperazinium, iodide

Structural Information

Molecular Formula
C16H27N2S
SMILES
C[N+]1(CCN(CC1)C2(CCCCC2)C3=CC=CS3)C
InChI
InChI=1S/C16H27N2S/c1-18(2)12-10-17(11-13-18)16(8-4-3-5-9-16)15-7-6-14-19-15/h6-7,14H,3-5,8-13H2,1-2H3/q+1
InChIKey
JQDYHJLAJBRZPH-UHFFFAOYSA-N
Compound name
1,1-dimethyl-4-(1-thiophen-2-ylcyclohexyl)piperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.18948 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.19676 164.4
[M+Na]+ 302.17870 168.5
[M-H]- 278.18220 170.2
[M+NH4]+ 297.22330 183.3
[M+K]+ 318.15264 159.4
[M+H-H2O]+ 262.18674 158.6
[M+HCOO]- 324.18768 174.1
[M+CH3COO]- 338.20333 189.0
[M+Na-2H]- 300.16415 166.2
[M]+ 279.18893 156.7
[M]- 279.19003 156.7
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.