CID 3575823

1-benzyl-3-(tert-butoxycarbonylamino)pyrrolidine

Structural Information

Molecular Formula

C₁₆H₂₄N₂O₂

SMILES

CC(C)(C)OC(=O)NC1CCN(C1)CC2=CC=CC=C2

InChI

InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)

InChIKey

PHOIDJGLYWEUEK-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 165
Patents: 276.18378 Da
Monoisotopic Mass: 2.7
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]+	277.191056	167.9
[M+Na]+	299.172998	172.0
[M-H]-	275.176504	172.6
[M+NH4]+	294.217603	184.1
[M+K]+	315.146938	169.6
[M+H-H2O]+	259.181040	160.1
[M+HCOO]-	321.181981	187.3
[M+CH3COO]-	335.197631	199.7
[M+Na-2H]-	297.158446	169.9
[M]+	276.18323142	166.6
[M]-	276.18432858	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe