CID 44558596

502649-32-3

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

CC(C)C1CN(CCN1)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H24N2O2/c1-9(2)10-8-14(7-6-13-10)11(15)16-12(3,4)5/h9-10,13H,6-8H2,1-5H3

InChIKey

UHLAQCKNCBYTIF-UHFFFAOYSA-N

Compound name

tert-butyl 3-propan-2-ylpiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 158
Patents: 228.18378 Da
Monoisotopic Mass: 1.9
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]+	229.191056	157.7
[M+Na]+	251.172998	161.7
[M-H]-	227.176504	156.3
[M+NH4]+	246.217603	172.6
[M+K]+	267.146938	160.6
[M+H-H2O]+	211.181040	151.0
[M+HCOO]-	273.181981	169.9
[M+CH3COO]-	287.197631	188.6
[M+Na-2H]-	249.158446	158.6
[M]+	228.18323142	154.2
[M]-	228.18432858	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe