CID 118798429

2241129-13-3

Structural Information

Molecular Formula
C13H24N2O4
SMILES
CCOC(=O)CC1(CCN(C1)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C13H24N2O4/c1-5-18-10(16)8-13(14)6-7-15(9-13)11(17)19-12(2,3)4/h5-9,14H2,1-4H3
InChIKey
BIENJLIIUBFKDP-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-3-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1736 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.180876 164.5
[M+Na]+ 295.162818 169.4
[M-H]- 271.166324 165.7
[M+NH4]+ 290.207423 182.8
[M+K]+ 311.136758 169.5
[M+H-H2O]+ 255.170860 159.3
[M+HCOO]- 317.171801 182.4
[M+CH3COO]- 331.187451 197.6
[M+Na-2H]- 293.148266 165.4
[M]+ 272.17305142 165.5
[M]- 272.17414858 165.5
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.