CID 15222301

146060-18-6

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

74
Patents

259.14197 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.149246 159.5
[M+Na]+ 282.131188 165.1
[M-H]- 258.134694 160.1
[M+NH4]+ 277.175793 176.3
[M+K]+ 298.105128 165.2
[M+H-H2O]+ 242.139230 154.1
[M+HCOO]- 304.140171 176.0
[M+CH3COO]- 318.155821 192.2
[M+Na-2H]- 280.116636 159.1
[M]+ 259.14142142 161.6
[M]- 259.14251858 161.6
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