CID 23081391

539822-98-5

Structural Information

Molecular Formula

C₁₂H₂₅N₃O₂

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCNC

InChI

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

InChIKey

IRUJRVAXEALDLJ-UHFFFAOYSA-N

Compound name

tert-butyl 4-[2-(methylamino)ethyl]piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 190
Patents: 243.19467 Da
Monoisotopic Mass: 0.5
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	161.6
[M+Na]+	266.18389	165.4
[M-H]-	242.18739	161.4
[M+NH4]+	261.22849	176.3
[M+K]+	282.15783	164.5
[M+H-H2O]+	226.19193	154.0
[M+HCOO]-	288.19287	177.4
[M+CH3COO]-	302.20852	195.3
[M+Na-2H]-	264.16934	164.6
[M]+	243.19412	159.9
[M]-	243.19522	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe