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]+ 313.212176 176.9
[M+Na]+ 335.194118 179.3
[M-H]- 311.197624 178.1
[M+NH4]+ 330.238723 191.5
[M+K]+ 351.168058 178.2
[M+H-H2O]+ 295.202160 170.1
[M+HCOO]- 357.203101 187.8
[M+CH3COO]- 371.218751 199.3
[M+Na-2H]- 333.179566 175.7
[M]+ 312.20435142 172.7
[M]- 312.20544858 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.