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]+ 245.22235 153.9
[M+Na]+ 267.20429 158.2
[M-H]- 243.20779 157.1
[M+NH4]+ 262.24889 172.3
[M+K]+ 283.17823 147.3
[M+H-H2O]+ 227.21233 153.8
[M+HCOO]- 289.21327 171.1
[M+CH3COO]- 303.22892 186.1
[M+Na-2H]- 265.18974 163.2
[M]+ 244.21452 150.8
[M]- 244.21562 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.