CID 129462826

2230808-50-9

Structural Information

Molecular Formula

C₁₄H₂₇N₃O₂

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)[C@@H]2CCC[C@@H]2N

InChI

InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-9-7-16(8-10-17)12-6-4-5-11(12)15/h11-12H,4-10,15H2,1-3H3/t11-,12+/m0/s1

InChIKey

CPAAPDJHETXHGX-NWDGAFQWSA-N

Compound name

tert-butyl 4-[(1R,2S)-2-aminocyclopentyl]piperazine-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	168.3
[M+Na]+	292.199548	171.1
[M-H]-	268.203054	170.5
[M+NH4]+	287.244153	183.1
[M+K]+	308.173488	169.4
[M+H-H2O]+	252.207590	160.3
[M+HCOO]-	314.208531	182.0
[M+CH3COO]-	328.224181	198.2
[M+Na-2H]-	290.184996	166.6
[M]+	269.20978142	161.9
[M]-	269.21087858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.