CID 199009

4-piperidinol, 1-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride

Structural Information

Molecular Formula
C16H23NO5
SMILES
CN1CCC(CC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C16H23NO5/c1-17-7-5-12(6-8-17)22-16(18)11-9-13(19-2)15(21-4)14(10-11)20-3/h9-10,12H,5-8H2,1-4H3
InChIKey
KMYOKMGCEJIEPW-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

309.15762 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.164896 170.9
[M+Na]+ 332.146838 176.8
[M-H]- 308.150344 175.9
[M+NH4]+ 327.191443 184.4
[M+K]+ 348.120778 176.0
[M+H-H2O]+ 292.154880 162.3
[M+HCOO]- 354.155821 189.1
[M+CH3COO]- 368.171471 206.2
[M+Na-2H]- 330.132286 171.2
[M]+ 309.15707142 174.3
[M]- 309.15816858 174.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.