CID 115896

63938-82-9

Structural Information

Molecular Formula
C17H36N2
SMILES
C[N+]1(CCCCC1)CCCCC[N+]2(CCCCC2)C
InChI
InChI=1S/C17H36N2/c1-18(12-6-3-7-13-18)16-10-5-11-17-19(2)14-8-4-9-15-19/h3-17H2,1-2H3/q+2
InChIKey
RYGUIMZKXUZJHP-UHFFFAOYSA-N
Compound name
1-methyl-1-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

268.28784 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.29512 170.5
[M+Na]+ 291.27706 184.4
[M+NH4]+ 286.32166 184.1
[M+K]+ 307.25100 172.9
[M-H]- 267.28056 177.4
[M+Na-2H]- 289.26251 180.1
[M]+ 268.28729 175.5
[M]- 268.28839 175.5
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

patents stripe