CID 103625

52371-06-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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

literature stripe

Patent stripe

patents stripe