CID 139022470

2343964-30-5

Structural Information

Molecular Formula
C16H28N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)[C@@H]2CNC[C@H]2C(=O)OC
InChI
InChI=1S/C16H28N2O4/c1-16(2,3)22-15(20)18-7-5-11(6-8-18)12-9-17-10-13(12)14(19)21-4/h11-13,17H,5-10H2,1-4H3/t12-,13+/m0/s1
InChIKey
CEOWTEUDRUKGFN-QWHCGFSZSA-N
Compound name
tert-butyl 4-[(3S,4S)-4-methoxycarbonylpyrrolidin-3-yl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.2049 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.21218 175.5
[M+Na]+ 335.19412 181.2
[M+NH4]+ 330.23872 179.9
[M+K]+ 351.16806 180.7
[M-H]- 311.19762 173.9
[M+Na-2H]- 333.17957 175.8
[M]+ 312.20435 175.3
[M]- 312.20545 175.3
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.