CID 3023990

1-phenylpiperidine-4-carboxylic acid

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1CN(CCC1C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C12H15NO2/c14-12(15)10-6-8-13(9-7-10)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,15)
InChIKey
IXLCEJNZWAYHPL-UHFFFAOYSA-N
Compound name
1-phenylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

170
Patents

205.11028 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 145.6
[M+Na]+ 228.099498 150.4
[M-H]- 204.103004 148.8
[M+NH4]+ 223.144103 161.9
[M+K]+ 244.073438 147.5
[M+H-H2O]+ 188.107540 138.0
[M+HCOO]- 250.108481 163.1
[M+CH3COO]- 264.124131 182.3
[M+Na-2H]- 226.084946 149.4
[M]+ 205.10973142 140.2
[M]- 205.11082858 140.2
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