CID 3705956

851484-94-1

Structural Information

Molecular Formula
C17H23NO5
SMILES
CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-9-13(14(10-18)15(19)20)11-5-7-12(22-4)8-6-11/h5-8,13-14H,9-10H2,1-4H3,(H,19,20)
InChIKey
ISEHHCOIDMZBSU-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

321.15762 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16490 174.6
[M+Na]+ 344.14684 183.0
[M+NH4]+ 339.19144 179.3
[M+K]+ 360.12078 182.1
[M-H]- 320.15034 174.0
[M+Na-2H]- 342.13229 177.1
[M]+ 321.15707 175.2
[M]- 321.15817 175.2
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