CID 3053866

Anc 112

Structural Information

Molecular Formula
C15H30N2O3
SMILES
C[N+]1(CCCCC1)CCOC(=O)C[N+]2(CCOCC2)C
InChI
InChI=1S/C15H30N2O3/c1-16(6-4-3-5-7-16)10-13-20-15(18)14-17(2)8-11-19-12-9-17/h3-14H2,1-2H3/q+2
InChIKey
RALNJXAJMXXSRV-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-(4-methylmorpholin-4-ium-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.22565 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.23293 168.7
[M+Na]+ 309.21487 170.0
[M-H]- 285.21837 171.4
[M+NH4]+ 304.25947 182.9
[M+K]+ 325.18881 159.1
[M+H-H2O]+ 269.22291 165.6
[M+HCOO]- 331.22385 179.3
[M+CH3COO]- 345.23950 184.7
[M+Na-2H]- 307.20032 176.6
[M]+ 286.22510 161.3
[M]- 286.22620 161.3
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.