CID 53350324

1779927-90-0

Structural Information

Molecular Formula

C₁₂H₂₅N₃O₂

SMILES

CC(CN1CCN(CC1)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C12H25N3O2/c1-10(13)9-14-5-7-15(8-6-14)11(16)17-12(2,3)4/h10H,5-9,13H2,1-4H3

InChIKey

YRSSUIZMGOJGOZ-UHFFFAOYSA-N

Compound name

tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 243.19467 Da
Monoisotopic Mass: 0.4
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]+	244.20195	159.5
[M+Na]+	266.18389	166.5
[M+NH4]+	261.22849	164.8
[M+K]+	282.15783	163.6
[M-H]-	242.18739	158.3
[M+Na-2H]-	264.16934	161.1
[M]+	243.19412	159.7
[M]-	243.19522	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe