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

96
Patents

279.1107 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11798 162.3
[M+Na]+ 302.09992 167.7
[M-H]- 278.10342 166.1
[M+NH4]+ 297.14452 177.6
[M+K]+ 318.07386 166.2
[M+H-H2O]+ 262.10796 154.8
[M+HCOO]- 324.10890 181.1
[M+CH3COO]- 338.12455 194.2
[M+Na-2H]- 300.08537 161.9
[M]+ 279.11015 163.0
[M]- 279.11125 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