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

59
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 169.7
[M+Na]+ 291.27706 170.2
[M-H]- 267.28056 171.3
[M+NH4]+ 286.32166 186.1
[M+K]+ 307.25100 156.6
[M+H-H2O]+ 251.28510 166.0
[M+HCOO]- 313.28604 180.7
[M+CH3COO]- 327.30169 186.2
[M+Na-2H]- 289.26251 176.1
[M]+ 268.28729 159.6
[M]- 268.28839 159.6
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