CID 4058

Meperidine

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2
InChI
InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
InChIKey
XADCESSVHJOZHK-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

6470
References

68250
Patents

247.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 158.9
[M+Na]+ 270.14645 163.9
[M-H]- 246.14995 163.4
[M+NH4]+ 265.19105 176.4
[M+K]+ 286.12039 161.6
[M+H-H2O]+ 230.15449 151.0
[M+HCOO]- 292.15543 177.0
[M+CH3COO]- 306.17108 192.7
[M+Na-2H]- 268.13190 162.6
[M]+ 247.15668 156.7
[M]- 247.15778 156.7
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.