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 146.4
[M+Na]+ 223.21447 160.8
[M+NH4]+ 218.25907 159.0
[M+K]+ 239.18841 153.3
[M-H]- 199.21797 152.4
[M+Na-2H]- 221.19992 155.3
[M]+ 200.22470 151.1
[M]- 200.22580 151.1
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.