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]+ 317.18596 177.0
[M+Na]+ 339.16790 178.6
[M-H]- 315.17140 182.2
[M+NH4]+ 334.21250 189.1
[M+K]+ 355.14184 175.7
[M+H-H2O]+ 299.17594 166.7
[M+HCOO]- 361.17688 191.3
[M+CH3COO]- 375.19253 202.3
[M+Na-2H]- 337.15335 174.5
[M]+ 316.17813 171.2
[M]- 316.17923 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