CID 3048282

Bw 54-141

Structural Information

Molecular Formula
C12H28N2
SMILES
C[N+]1(CCC(CC1)CC[N+](C)(C)C)C
InChI
InChI=1S/C12H28N2/c1-13(2,3)9-6-12-7-10-14(4,5)11-8-12/h12H,6-11H2,1-5H3/q+2
InChIKey
YGDCTTBIKAQEMV-UHFFFAOYSA-N
Compound name
2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.22525 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.232526 143.7
[M+Na]+ 223.214468 148.4
[M-H]- 199.217974 147.0
[M+NH4]+ 218.259073 164.0
[M+K]+ 239.188408 137.0
[M+H-H2O]+ 183.222510 143.7
[M+HCOO]- 245.223451 161.6
[M+CH3COO]- 259.239101 180.7
[M+Na-2H]- 221.199916 154.2
[M]+ 200.22470142 138.9
[M]- 200.22579858 138.9
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.