CID 560953

95656-88-5

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

C1CN(CC1O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H15NO3/c14-11-6-7-13(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2

InChIKey

MBLJFGOKYTZKMH-UHFFFAOYSA-N

Compound name

benzyl 3-hydroxypyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 702
Patents: 221.1052 Da
Monoisotopic Mass: 1.1
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]+	222.11248	149.4
[M+Na]+	244.09442	155.2
[M-H]-	220.09792	153.1
[M+NH4]+	239.13902	167.1
[M+K]+	260.06836	152.9
[M+H-H2O]+	204.10246	142.1
[M+HCOO]-	266.10340	169.4
[M+CH3COO]-	280.11905	182.6
[M+Na-2H]-	242.07987	151.7
[M]+	221.10465	147.5
[M]-	221.10575	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe