CID 15222301

(4r)-1-boc-4-ethoxy-l-proline

Structural Information

Molecular Formula
C12H21NO5
SMILES
CCO[C@@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C12H21NO5/c1-5-17-8-6-9(10(14)15)13(7-8)11(16)18-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9+/m1/s1
InChIKey
UPAHQJOZYJQXQX-BDAKNGLRSA-N
Compound name
(2S,4R)-4-ethoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

259.14197 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 159.4
[M+Na]+ 282.13119 165.5
[M+NH4]+ 277.17579 163.5
[M+K]+ 298.10513 165.9
[M-H]- 258.13469 155.9
[M+Na-2H]- 280.11664 158.9
[M]+ 259.14142 158.7
[M]- 259.14252 158.7
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

patents stripe