CID 139022806

1903832-20-1

Structural Information

Molecular Formula
C13H21NO6
SMILES
CCOC(=O)[C@@H]1CCN([C@@H]1C(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H21NO6/c1-5-19-11(17)8-6-7-14(9(8)10(15)16)12(18)20-13(2,3)4/h8-9H,5-7H2,1-4H3,(H,15,16)/t8-,9+/m1/s1
InChIKey
QTXGCIJBUIHPGR-BDAKNGLRSA-N
Compound name
(2S,3R)-3-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

287.1369 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14418 164.8
[M+Na]+ 310.12612 169.9
[M+NH4]+ 305.17072 167.8
[M+K]+ 326.10006 171.4
[M-H]- 286.12962 160.2
[M+Na-2H]- 308.11157 163.3
[M]+ 287.13635 163.5
[M]- 287.13745 163.5
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

patents stripe