CID 165768311

Tert-butyl 3-hydroxy-3-[1-(methoxycarbonyl)cyclobutyl]pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C15H25NO5
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C2(CCC2)C(=O)OC)O
InChI
InChI=1S/C15H25NO5/c1-13(2,3)21-12(18)16-9-8-15(19,10-16)14(6-5-7-14)11(17)20-4/h19H,5-10H2,1-4H3
InChIKey
MWGWKGQMHZUBEC-UHFFFAOYSA-N
Compound name
tert-butyl 3-hydroxy-3-(1-methoxycarbonylcyclobutyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.17328 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.180556 171.8
[M+Na]+ 322.162498 174.7
[M-H]- 298.166004 175.1
[M+NH4]+ 317.207103 183.8
[M+K]+ 338.136438 177.4
[M+H-H2O]+ 282.170540 163.2
[M+HCOO]- 344.171481 185.4
[M+CH3COO]- 358.187131 199.6
[M+Na-2H]- 320.147946 172.5
[M]+ 299.17273142 180.8
[M]- 299.17382858 180.8
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.