CID 137965831

2230795-67-0

Structural Information

Molecular Formula
C17H21NO5
SMILES
C1CO[C@H]([C@@H]1C(=O)O)C2CCN(C2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C17H21NO5/c19-16(20)14-7-9-22-15(14)13-6-8-18(10-13)17(21)23-11-12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H,19,20)/t13?,14-,15+/m1/s1
InChIKey
AOILNDHYYPDSFC-DMJDIKPUSA-N
Compound name
(2S,3R)-2-(1-phenylmethoxycarbonylpyrrolidin-3-yl)oxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.14197 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.149246 174.1
[M+Na]+ 342.131188 177.2
[M-H]- 318.134694 181.2
[M+NH4]+ 337.175793 187.6
[M+K]+ 358.105128 176.2
[M+H-H2O]+ 302.139230 166.7
[M+HCOO]- 364.140171 190.3
[M+CH3COO]- 378.155821 200.2
[M+Na-2H]- 340.116636 170.7
[M]+ 319.14142142 171.9
[M]- 319.14251858 171.9
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.