CID 545827

Methyl 4-phenylpiperidine-4-carboxylate

Structural Information

Molecular Formula
C13H17NO2
SMILES
COC(=O)C1(CCNCC1)C2=CC=CC=C2
InChI
InChI=1S/C13H17NO2/c1-16-12(15)13(7-9-14-10-8-13)11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKey
KUISDPUHRPZRFF-UHFFFAOYSA-N
Compound name
methyl 4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

271
Patents

219.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 151.3
[M+Na]+ 242.115148 155.8
[M-H]- 218.118654 154.3
[M+NH4]+ 237.159753 168.9
[M+K]+ 258.089088 153.0
[M+H-H2O]+ 202.123190 143.9
[M+HCOO]- 264.124131 168.6
[M+CH3COO]- 278.139781 183.0
[M+Na-2H]- 240.100596 156.2
[M]+ 219.12538142 146.1
[M]- 219.12647858 146.1
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

patents stripe