CID 165768311

2386251-98-3

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]+ 300.18056 171.8
[M+Na]+ 322.16250 174.7
[M-H]- 298.16600 175.1
[M+NH4]+ 317.20710 183.8
[M+K]+ 338.13644 177.4
[M+H-H2O]+ 282.17054 163.2
[M+HCOO]- 344.17148 185.4
[M+CH3COO]- 358.18713 199.6
[M+Na-2H]- 320.14795 172.5
[M]+ 299.17273 180.8
[M]- 299.17383 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.