CID 1519355

122536-72-5

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

C1CN(C[C@H]1N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H16N2O2/c13-11-6-7-14(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2/t11-/m0/s1

InChIKey

FPXJNSKAXZNWMQ-NSHDSACASA-N

Compound name

benzyl (3S)-3-aminopyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 347
Patents: 220.12119 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]+	221.128466	149.9
[M+Na]+	243.110408	155.3
[M-H]-	219.113914	154.4
[M+NH4]+	238.155013	167.8
[M+K]+	259.084348	152.9
[M+H-H2O]+	203.118450	142.1
[M+HCOO]-	265.119391	171.6
[M+CH3COO]-	279.135041	187.3
[M+Na-2H]-	241.095856	152.0
[M]+	220.12064142	146.7
[M]-	220.12173858	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe