CID 3065836

109044-30-6

Structural Information

Molecular Formula
C13H28N2O2
SMILES
C[N+]1(CCCC(C1)C(=O)OCC[N+](C)(C)C)C
InChI
InChI=1S/C13H28N2O2/c1-14(2,3)9-10-17-13(16)12-7-6-8-15(4,5)11-12/h12H,6-11H2,1-5H3/q+2
InChIKey
SERTZVLJTRGMPQ-UHFFFAOYSA-N
Compound name
2-(1,1-dimethylpiperidin-1-ium-3-carbonyl)oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.21507 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.222346 153.9
[M+Na]+ 267.204288 158.2
[M-H]- 243.207794 157.1
[M+NH4]+ 262.248893 172.3
[M+K]+ 283.178228 147.3
[M+H-H2O]+ 227.212330 153.8
[M+HCOO]- 289.213271 171.1
[M+CH3COO]- 303.228921 186.1
[M+Na-2H]- 265.189736 163.2
[M]+ 244.21452142 150.8
[M]- 244.21561858 150.8
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.