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]+ 255.27948 163.5
[M+Na]+ 277.26142 166.4
[M-H]- 253.26492 166.1
[M+NH4]+ 272.30602 182.8
[M+K]+ 293.23536 152.9
[M+H-H2O]+ 237.26946 161.0
[M+HCOO]- 299.27040 177.1
[M+CH3COO]- 313.28605 183.9
[M+Na-2H]- 275.24687 168.8
[M]+ 254.27165 155.5
[M]- 254.27275 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.