CID 82618605

Tert-butyl 3-(3-aminopropyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC(C1)CCCN

InChI

InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-8-6-10(9-14)5-4-7-13/h10H,4-9,13H2,1-3H3

InChIKey

QHFDBFBPGIHVQR-UHFFFAOYSA-N

Compound name

tert-butyl 3-(3-aminopropyl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 228.18378 Da
Monoisotopic Mass: 1.3
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]+	229.191056	157.9
[M+Na]+	251.172998	162.5
[M-H]-	227.176504	158.9
[M+NH4]+	246.217603	176.2
[M+K]+	267.146938	161.4
[M+H-H2O]+	211.181040	151.6
[M+HCOO]-	273.181981	176.5
[M+CH3COO]-	287.197631	191.5
[M+Na-2H]-	249.158446	158.5
[M]+	228.18323142	156.6
[M]-	228.18432858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.