CID 3048290

Bw 55-264

Structural Information

Molecular Formula
C16H34N2
SMILES
CC[N+]1(CCC(CC1)CC[N+]2(CCCC2)CC)C
InChI
InChI=1S/C16H34N2/c1-4-17(3)13-8-16(9-14-17)10-15-18(5-2)11-6-7-12-18/h16H,4-15H2,1-3H3/q+2
InChIKey
ZRUSLRFACZJABV-UHFFFAOYSA-N
Compound name
1-ethyl-4-[2-(1-ethylpyrrolidin-1-ium-1-yl)ethyl]-1-methylpiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.2722 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.279476 163.5
[M+Na]+ 277.261418 166.4
[M-H]- 253.264924 166.1
[M+NH4]+ 272.306023 182.8
[M+K]+ 293.235358 152.9
[M+H-H2O]+ 237.269460 161.0
[M+HCOO]- 299.270401 177.1
[M+CH3COO]- 313.286051 183.9
[M+Na-2H]- 275.246866 168.8
[M]+ 254.27165142 155.5
[M]- 254.27274858 155.5
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.