CID 165941409

Rac-(2r,4s)-4-benzylpiperidine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1CN[C@@H](C[C@@H]1CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H17NO2/c15-13(16)12-9-11(6-7-14-12)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12-/m0/s1
InChIKey
NNFRPINCKNGGAJ-RYUDHWBXSA-N
Compound name
(2S,4R)-4-benzylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 150.7
[M+Na]+ 242.115148 154.6
[M-H]- 218.118654 152.2
[M+NH4]+ 237.159753 165.7
[M+K]+ 258.089088 150.6
[M+H-H2O]+ 202.123190 143.1
[M+HCOO]- 264.124131 166.3
[M+CH3COO]- 278.139781 182.8
[M+Na-2H]- 240.100596 153.4
[M]+ 219.12538142 143.8
[M]- 219.12647858 143.8
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.