CID 2757385

289677-06-1

Structural Information

Molecular Formula
C18H24N2O4
SMILES
C1C[C@H](N(C1)C2CCN(CC2)C(=O)OCC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C18H24N2O4/c21-17(22)16-7-4-10-20(16)15-8-11-19(12-9-15)18(23)24-13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,21,22)/t16-/m0/s1
InChIKey
QFKKBRVYWOSFQR-INIZCTEOSA-N
Compound name
(2S)-1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1736 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18088 179.3
[M+Na]+ 355.16282 181.2
[M-H]- 331.16632 183.5
[M+NH4]+ 350.20742 190.2
[M+K]+ 371.13676 178.1
[M+H-H2O]+ 315.17086 169.6
[M+HCOO]- 377.17180 192.2
[M+CH3COO]- 391.18745 203.9
[M+Na-2H]- 353.14827 176.0
[M]+ 332.17305 173.6
[M]- 332.17415 173.6
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.