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

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 159.5
[M+Na]+ 282.13119 165.1
[M-H]- 258.13469 160.1
[M+NH4]+ 277.17579 176.3
[M+K]+ 298.10513 165.2
[M+H-H2O]+ 242.13923 154.1
[M+HCOO]- 304.14017 176.0
[M+CH3COO]- 318.15582 192.2
[M+Na-2H]- 280.11664 159.1
[M]+ 259.14142 161.6
[M]- 259.14252 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