CID 3048570

Piperidinium, 1,1',1'-trimethyl-1,4'-ethylenedi-, diiodide

Structural Information

Molecular Formula
C15H32N2
SMILES
C[N+]1(CCC(CC1)CC[N+]2(CCCCC2)C)C
InChI
InChI=1S/C15H32N2/c1-16(2)12-7-15(8-13-16)9-14-17(3)10-5-4-6-11-17/h15H,4-14H2,1-3H3/q+2
InChIKey
FFESEMSKKAZXKM-UHFFFAOYSA-N
Compound name
1,1-dimethyl-4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.25655 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.26383 159.7
[M+Na]+ 263.24577 162.0
[M-H]- 239.24927 162.1
[M+NH4]+ 258.29037 177.6
[M+K]+ 279.21971 148.9
[M+H-H2O]+ 223.25381 156.9
[M+HCOO]- 285.25475 171.4
[M+CH3COO]- 299.27040 181.3
[M+Na-2H]- 261.23122 166.7
[M]+ 240.25600 149.3
[M]- 240.25710 149.3
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.