CID 69675038

1194059-42-1

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)OC)CO
InChI
InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-8(7-14)5-9(13)10(15)17-4/h8-9,14H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKey
CABWKOSZCAHYJE-IUCAKERBSA-N
Compound name
1-O-tert-butyl 2-O-methyl (2S,4S)-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

259.14197 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 159.6
[M+Na]+ 282.13119 165.7
[M+NH4]+ 277.17579 163.7
[M+K]+ 298.10513 166.0
[M-H]- 258.13469 156.1
[M+Na-2H]- 280.11664 159.1
[M]+ 259.14142 158.8
[M]- 259.14252 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe