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]+ 310.16490 170.9
[M+Na]+ 332.14684 176.8
[M-H]- 308.15034 175.9
[M+NH4]+ 327.19144 184.4
[M+K]+ 348.12078 176.0
[M+H-H2O]+ 292.15488 162.3
[M+HCOO]- 354.15582 189.1
[M+CH3COO]- 368.17147 206.2
[M+Na-2H]- 330.13229 171.2
[M]+ 309.15707 174.3
[M]- 309.15817 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.