CID 29948224

874831-60-4

Structural Information

Molecular Formula

C₁₂H₂₅N₃O₂

SMILES

CC(C)(C)OC(=O)NCCCN1CCNCC1

InChI

InChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)14-5-4-8-15-9-6-13-7-10-15/h13H,4-10H2,1-3H3,(H,14,16)

InChIKey

RYXOGEGCRBIYKR-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-piperazin-1-ylpropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 243.19467 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]+	244.20195	160.2
[M+Na]+	266.18389	166.9
[M+NH4]+	261.22849	165.4
[M+K]+	282.15783	163.0
[M-H]-	242.18739	158.7
[M+Na-2H]-	264.16934	162.1
[M]+	243.19412	160.2
[M]-	243.19522	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe