CID 137935720

2253638-54-7

Structural Information

Molecular Formula
C16H28N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2(CCNC2)C(=O)OC
InChI
InChI=1S/C16H28N2O4/c1-15(2,3)22-14(20)18-9-5-12(6-10-18)16(13(19)21-4)7-8-17-11-16/h12,17H,5-11H2,1-4H3
InChIKey
KRZLFUQIKIQBGY-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-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

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.21218 176.9
[M+Na]+ 335.19412 179.3
[M-H]- 311.19762 178.1
[M+NH4]+ 330.23872 191.5
[M+K]+ 351.16806 178.2
[M+H-H2O]+ 295.20216 170.1
[M+HCOO]- 357.20310 187.8
[M+CH3COO]- 371.21875 199.3
[M+Na-2H]- 333.17957 175.7
[M]+ 312.20435 172.7
[M]- 312.20545 172.7
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.