CID 3048058

Bw 54-95

Structural Information

Molecular Formula
C14H30N2
SMILES
C[N+]1(CCC(CC1)CC[N+]2(CCCC2)C)C
InChI
InChI=1S/C14H30N2/c1-15(2)11-6-14(7-12-15)8-13-16(3)9-4-5-10-16/h14H,4-13H2,1-3H3/q+2
InChIKey
WOLWKJCJSAVUON-UHFFFAOYSA-N
Compound name
1,1-dimethyl-4-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.2409 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.24818 154.5
[M+Na]+ 249.23012 158.4
[M-H]- 225.23362 157.6
[M+NH4]+ 244.27472 175.0
[M+K]+ 265.20406 145.3
[M+H-H2O]+ 209.23816 152.5
[M+HCOO]- 271.23910 168.9
[M+CH3COO]- 285.25475 178.0
[M+Na-2H]- 247.21557 160.9
[M]+ 226.24035 145.9
[M]- 226.24145 145.9
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.