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]+ 201.23253 143.7
[M+Na]+ 223.21447 148.4
[M-H]- 199.21797 147.0
[M+NH4]+ 218.25907 164.0
[M+K]+ 239.18841 137.0
[M+H-H2O]+ 183.22251 143.7
[M+HCOO]- 245.22345 161.6
[M+CH3COO]- 259.23910 180.7
[M+Na-2H]- 221.19992 154.2
[M]+ 200.22470 138.9
[M]- 200.22580 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.