CID 51161

Dtxsid20990994

Structural Information

Molecular Formula
C15H21NO3
SMILES
CCOC(=O)C1(CCN(CC1)C)C2=CC=C(C=C2)O
InChI
InChI=1S/C15H21NO3/c1-3-19-14(18)15(8-10-16(2)11-9-15)12-4-6-13(17)7-5-12/h4-7,17H,3,8-11H2,1-2H3
InChIKey
ATMGOQAKRKBJPP-UHFFFAOYSA-N
Compound name
ethyl 4-(4-hydroxyphenyl)-1-methylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

263.15213 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 162.0
[M+Na]+ 286.141348 167.4
[M-H]- 262.144854 165.4
[M+NH4]+ 281.185953 178.4
[M+K]+ 302.115288 164.8
[M+H-H2O]+ 246.149390 154.6
[M+HCOO]- 308.150331 178.7
[M+CH3COO]- 322.165981 193.5
[M+Na-2H]- 284.126796 164.7
[M]+ 263.15158142 159.8
[M]- 263.15267858 159.8
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.