CID 156808283

2353824-14-1

Structural Information

Molecular Formula

C₁₄H₂₉N₃O₂

SMILES

CC(C)(C)OC(=O)NCCCCCN1CCNCC1

InChI

InChI=1S/C14H29N3O2/c1-14(2,3)19-13(18)16-7-5-4-6-10-17-11-8-15-9-12-17/h15H,4-12H2,1-3H3,(H,16,18)

InChIKey

AIQDXFVXKRHWEJ-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-piperazin-1-ylpentyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 271.22598 Da
Monoisotopic Mass: 1.4
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]+	272.233256	170.9
[M+Na]+	294.215198	172.3
[M-H]-	270.218704	168.4
[M+NH4]+	289.259803	183.3
[M+K]+	310.189138	170.1
[M+H-H2O]+	254.223240	162.8
[M+HCOO]-	316.224181	184.4
[M+CH3COO]-	330.239831	197.6
[M+Na-2H]-	292.200646	173.0
[M]+	271.22543142	167.5
[M]-	271.22652858	167.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe