CID 6481457

1786119-30-9

Structural Information

Molecular Formula
C18H24N2O3
SMILES
C1CCN(CC1)C(=O)C2CCCN2C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C18H24N2O3/c21-17(19-11-5-2-6-12-19)16-10-7-13-20(16)18(22)23-14-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14H2
InChIKey
RQDZEMWKEQRMCW-UHFFFAOYSA-N
Compound name
benzyl 2-(piperidine-1-carbonyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

316.17868 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.185956 177.0
[M+Na]+ 339.167898 178.6
[M-H]- 315.171404 182.2
[M+NH4]+ 334.212503 189.1
[M+K]+ 355.141838 175.7
[M+H-H2O]+ 299.175940 166.7
[M+HCOO]- 361.176881 191.3
[M+CH3COO]- 375.192531 202.3
[M+Na-2H]- 337.153346 174.5
[M]+ 316.17813142 171.2
[M]- 316.17922858 171.2
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