CID 17750358

177276-41-4

Structural Information

Molecular Formula

C₁₄H₂₇N₃O₂

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2CCNCC2

InChI

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

InChIKey

XMGAKAOAPIZUJG-UHFFFAOYSA-N

Compound name

tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 302
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	170.1
[M+Na]+	292.199548	171.6
[M-H]-	268.203054	169.2
[M+NH4]+	287.244153	181.1
[M+K]+	308.173488	169.1
[M+H-H2O]+	252.207590	160.9
[M+HCOO]-	314.208531	178.2
[M+CH3COO]-	328.224181	193.6
[M+Na-2H]-	290.184996	170.5
[M]+	269.20978142	161.5
[M]-	269.21087858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe