CID 200973

Troxypiperidinium iodide

Structural Information

Molecular Formula
C19H30NO5
SMILES
CC[N+]1(CCCCC1)CCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C19H30NO5/c1-5-20(9-7-6-8-10-20)11-12-25-19(21)15-13-16(22-2)18(24-4)17(14-15)23-3/h13-14H,5-12H2,1-4H3/q+1
InChIKey
HMVVZPFRQXHYQK-UHFFFAOYSA-N
Compound name
2-(1-ethylpiperidin-1-ium-1-yl)ethyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2124 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.21968 185.1
[M+Na]+ 375.20162 189.4
[M-H]- 351.20512 189.6
[M+NH4]+ 370.24622 198.5
[M+K]+ 391.17556 182.3
[M+H-H2O]+ 335.20966 179.3
[M+HCOO]- 397.21060 201.7
[M+CH3COO]- 411.22625 206.2
[M+Na-2H]- 373.18707 188.1
[M]+ 352.21185 187.6
[M]- 352.21295 187.6
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.