CID 53216205

867265-71-2

Structural Information

Molecular Formula

C₁₃H₂₅N₃O₂

SMILES

CC(C)(C)OC(=O)N1CCC(C1)N2CCNCC2

InChI

InChI=1S/C13H25N3O2/c1-13(2,3)18-12(17)16-7-4-11(10-16)15-8-5-14-6-9-15/h11,14H,4-10H2,1-3H3

InChIKey

HCNFKJFDUHUDTA-UHFFFAOYSA-N

Compound name

tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 255.19467 Da
Monoisotopic Mass: 0.7
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]+	256.201946	165.6
[M+Na]+	278.183888	168.4
[M-H]-	254.187394	165.4
[M+NH4]+	273.228493	179.2
[M+K]+	294.157828	166.3
[M+H-H2O]+	238.191930	157.1
[M+HCOO]-	300.192871	176.3
[M+CH3COO]-	314.208521	190.0
[M+Na-2H]-	276.169336	164.9
[M]+	255.19412142	158.8
[M]-	255.19521858	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe