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]+ 333.180876 179.3
[M+Na]+ 355.162818 181.2
[M-H]- 331.166324 183.5
[M+NH4]+ 350.207423 190.2
[M+K]+ 371.136758 178.1
[M+H-H2O]+ 315.170860 169.6
[M+HCOO]- 377.171801 192.2
[M+CH3COO]- 391.187451 203.9
[M+Na-2H]- 353.148266 176.0
[M]+ 332.17305142 173.6
[M]- 332.17414858 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.