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

54
Patents

268.28784 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.295116 169.7
[M+Na]+ 291.277058 170.2
[M-H]- 267.280564 171.3
[M+NH4]+ 286.321663 186.1
[M+K]+ 307.250998 156.6
[M+H-H2O]+ 251.285100 166.0
[M+HCOO]- 313.286041 180.7
[M+CH3COO]- 327.301691 186.2
[M+Na-2H]- 289.262506 176.1
[M]+ 268.28729142 159.6
[M]- 268.28838858 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