CID 96839084

2348320-69-2

Structural Information

Molecular Formula

C₁₄H₂₇N₃O₂

SMILES

CC(C)(C)OC(=O)N1CCC[C@@H]1CN2CCNCC2

InChI

InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-8-4-5-12(17)11-16-9-6-15-7-10-16/h12,15H,4-11H2,1-3H3/t12-/m1/s1

InChIKey

NJVDXHDTINFTPI-GFCCVEGCSA-N

Compound name

tert-butyl (2R)-2-(piperazin-1-ylmethyl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.21033 Da
Monoisotopic Mass: 1.0
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]+	270.217606	169.9
[M+Na]+	292.199548	172.3
[M-H]-	268.203054	169.5
[M+NH4]+	287.244153	182.9
[M+K]+	308.173488	170.0
[M+H-H2O]+	252.207590	161.2
[M+HCOO]-	314.208531	180.3
[M+CH3COO]-	328.224181	193.0
[M+Na-2H]-	290.184996	168.7
[M]+	269.20978142	163.5
[M]-	269.21087858	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.