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]+ 229.26383 153.0
[M+Na]+ 251.24577 156.9
[M-H]- 227.24927 155.9
[M+NH4]+ 246.29037 172.2
[M+K]+ 267.21971 145.0
[M+H-H2O]+ 211.25381 152.7
[M+HCOO]- 273.25475 170.2
[M+CH3COO]- 287.27040 186.8
[M+Na-2H]- 249.23122 162.5
[M]+ 228.25600 149.0
[M]- 228.25710 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.