CID 409473

Ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylate

Structural Information

Molecular Formula
C15H21NO4
SMILES
CCOC(=O)C1(CCN(CC1)C)C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C15H21NO4/c1-3-20-14(19)15(6-8-16(2)9-7-15)11-4-5-12(17)13(18)10-11/h4-5,10,17-18H,3,6-9H2,1-2H3
InChIKey
FSXDAUOXFVZQSB-UHFFFAOYSA-N
Compound name
ethyl 4-(3,4-dihydroxyphenyl)-1-methylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14706 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 164.9
[M+Na]+ 302.13628 170.7
[M-H]- 278.13978 167.3
[M+NH4]+ 297.18088 180.2
[M+K]+ 318.11022 168.0
[M+H-H2O]+ 262.14432 157.9
[M+HCOO]- 324.14526 180.3
[M+CH3COO]- 338.16091 194.5
[M+Na-2H]- 300.12173 166.6
[M]+ 279.14651 162.8
[M]- 279.14761 162.8
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.