CID 90790440

Tert-butyl (s)-2-((1r,2r)-1,3-dimethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C15H27NO5
SMILES
C[C@H]([C@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)OC)C(=O)OC
InChI
InChI=1S/C15H27NO5/c1-10(13(17)20-6)12(19-5)11-8-7-9-16(11)14(18)21-15(2,3)4/h10-12H,7-9H2,1-6H3/t10-,11+,12-/m1/s1
InChIKey
OUDIZTOACCWIRY-GRYCIOLGSA-N
Compound name
tert-butyl (2S)-2-[(1R,2R)-1,3-dimethoxy-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

301.18893 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.19621 170.8
[M+Na]+ 324.17815 175.7
[M+NH4]+ 319.22275 174.5
[M+K]+ 340.15209 176.6
[M-H]- 300.18165 167.2
[M+Na-2H]- 322.16360 169.8
[M]+ 301.18838 169.8
[M]- 301.18948 169.8
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

patents stripe