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]+ 320.14925 174.1
[M+Na]+ 342.13119 177.2
[M-H]- 318.13469 181.2
[M+NH4]+ 337.17579 187.6
[M+K]+ 358.10513 176.2
[M+H-H2O]+ 302.13923 166.7
[M+HCOO]- 364.14017 190.3
[M+CH3COO]- 378.15582 200.2
[M+Na-2H]- 340.11664 170.7
[M]+ 319.14142 171.9
[M]- 319.14252 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.