CID 61120

Hydroxypethidine

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

2
References

7176
Patents

263.15213 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 162.0
[M+Na]+ 286.14135 167.4
[M-H]- 262.14485 165.4
[M+NH4]+ 281.18595 178.4
[M+K]+ 302.11529 164.8
[M+H-H2O]+ 246.14939 154.6
[M+HCOO]- 308.15033 178.7
[M+CH3COO]- 322.16598 193.5
[M+Na-2H]- 284.12680 164.7
[M]+ 263.15158 159.8
[M]- 263.15268 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

patents stripe