CID 44890918

1-n-cbz-4-hydroxy-beta-proline

Structural Information

Molecular Formula

C₁₃H₁₅NO₅

SMILES

C1C(C(CN1C(=O)OCC2=CC=CC=C2)O)C(=O)O

InChI

InChI=1S/C13H15NO5/c15-11-7-14(6-10(11)12(16)17)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H,16,17)

InChIKey

IIRYNZYKXMSCSC-UHFFFAOYSA-N

Compound name

4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 265.09503 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.102306	158.2
[M+Na]+	288.084248	163.7
[M-H]-	264.087754	160.8
[M+NH4]+	283.128853	173.4
[M+K]+	304.058188	161.6
[M+H-H2O]+	248.092290	151.2
[M+HCOO]-	310.093231	175.9
[M+CH3COO]-	324.108881	188.8
[M+Na-2H]-	286.069696	157.9
[M]+	265.09448142	156.8
[M]-	265.09557858	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe