CID 11687747

200184-91-4

Structural Information

Molecular Formula
C14H17NO5
SMILES
CO[C@@H]1C[C@@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C14H17NO5/c1-19-11-7-12(13(16)17)15(8-11)14(18)20-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,16,17)/t11-,12-/m1/s1
InChIKey
SRQAKAAEVLROCY-VXGBXAGGSA-N
Compound name
(2R,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

279.1107 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.117976 162.3
[M+Na]+ 302.099918 167.7
[M-H]- 278.103424 166.1
[M+NH4]+ 297.144523 177.6
[M+K]+ 318.073858 166.2
[M+H-H2O]+ 262.107960 154.8
[M+HCOO]- 324.108901 181.1
[M+CH3COO]- 338.124551 194.2
[M+Na-2H]- 300.085366 161.9
[M]+ 279.11015142 163.0
[M]- 279.11124858 163.0
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