CID 3048557

Bw 54-158

Structural Information

Molecular Formula
C16H36N2
SMILES
CCC[N+]1(CCC(CC1)CC[N+](C)(C)CCC)C
InChI
InChI=1S/C16H36N2/c1-6-11-17(3,4)13-8-16-9-14-18(5,12-7-2)15-10-16/h16H,6-15H2,1-5H3/q+2
InChIKey
YVYMLRHYSZLQOU-UHFFFAOYSA-N
Compound name
dimethyl-[2-(1-methyl-1-propylpiperidin-1-ium-4-yl)ethyl]-propylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.28784 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.29512 162.2
[M+Na]+ 279.27706 165.3
[M-H]- 255.28056 164.8
[M+NH4]+ 274.32166 180.3
[M+K]+ 295.25100 152.9
[M+H-H2O]+ 239.28510 161.5
[M+HCOO]- 301.28604 178.8
[M+CH3COO]- 315.30169 192.8
[M+Na-2H]- 277.26251 170.7
[M]+ 256.28729 158.9
[M]- 256.28839 158.9
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.