CID 105510484

Tert-butyl 3'-methyl-[2,3'-bipyrrolidine]-1-carboxylate

Structural Information

Molecular Formula

C₁₄H₂₆N₂O₂

SMILES

CC1(CCNC1)C2CCCN2C(=O)OC(C)(C)C

InChI

InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-9-5-6-11(16)14(4)7-8-15-10-14/h11,15H,5-10H2,1-4H3

InChIKey

JUUUONYNQAEZGZ-UHFFFAOYSA-N

Compound name

tert-butyl 2-(3-methylpyrrolidin-3-yl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 254.19943 Da
Monoisotopic Mass: 2.0
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]+	255.206706	164.7
[M+Na]+	277.188648	168.9
[M-H]-	253.192154	166.7
[M+NH4]+	272.233253	183.7
[M+K]+	293.162588	167.2
[M+H-H2O]+	237.196690	158.5
[M+HCOO]-	299.197631	178.8
[M+CH3COO]-	313.213281	189.6
[M+Na-2H]-	275.174096	163.7
[M]+	254.19888142	160.4
[M]-	254.19997858	160.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe