CID 3048288

Bw 54-157

Structural Information

Molecular Formula
C14H32N2
SMILES
CC[N+]1(CCC(CC1)CC[N+](C)(C)CC)C
InChI
InChI=1S/C14H32N2/c1-6-15(3,4)11-8-14-9-12-16(5,7-2)13-10-14/h14H,6-13H2,1-5H3/q+2
InChIKey
HJTABKDHVUQEMR-UHFFFAOYSA-N
Compound name
ethyl-[2-(1-ethyl-1-methylpiperidin-1-ium-4-yl)ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.25655 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.263826 153.0
[M+Na]+ 251.245768 156.9
[M-H]- 227.249274 155.9
[M+NH4]+ 246.290373 172.2
[M+K]+ 267.219708 145.0
[M+H-H2O]+ 211.253810 152.7
[M+HCOO]- 273.254751 170.2
[M+CH3COO]- 287.270401 186.8
[M+Na-2H]- 249.231216 162.5
[M]+ 228.25600142 149.0
[M]- 228.25709858 149.0
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.