CID 145874391

2375250-89-6

Structural Information

Molecular Formula
C12H21NO4
SMILES
CCOC(=O)[C@@H]1CNC[C@H]1C(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO4/c1-5-16-10(14)8-6-13-7-9(8)11(15)17-12(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKey
KFIBHHMLIVIKNW-RKDXNWHRSA-N
Compound name
3-O-tert-butyl 4-O-ethyl (3S,4S)-pyrrolidine-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 157.3
[M+Na]+ 266.13628 163.5
[M+NH4]+ 261.18088 162.0
[M+K]+ 282.11022 163.0
[M-H]- 242.13978 154.2
[M+Na-2H]- 264.12173 157.4
[M]+ 243.14651 156.7
[M]- 243.14761 156.7
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.