CID 16228837

929974-10-7

Structural Information

Molecular Formula

C₁₄H₂₆N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC(C1)C2CCNCC2

InChI

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

InChIKey

ZMBPMEPXLHVGRX-UHFFFAOYSA-N

Compound name

tert-butyl 3-piperidin-4-ylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 254.19943 Da
Monoisotopic Mass: 1.8
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]+	255.20671	165.4
[M+Na]+	277.18865	167.8
[M-H]-	253.19215	166.4
[M+NH4]+	272.23325	180.4
[M+K]+	293.16259	165.6
[M+H-H2O]+	237.19669	157.7
[M+HCOO]-	299.19763	177.2
[M+CH3COO]-	313.21328	190.1
[M+Na-2H]-	275.17410	164.3
[M]+	254.19888	158.4
[M]-	254.19998	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe