CID 11287538

199538-99-3

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₂

SMILES

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

InChI

InChI=1S/C12H20N2O2/c1-5-6-13-7-9-14(10-8-13)11(15)16-12(2,3)4/h1H,6-10H2,2-4H3

InChIKey

OAXARSVKYJPDPA-UHFFFAOYSA-N

Compound name

tert-butyl 4-prop-2-ynylpiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3573
Patents: 224.15248 Da
Monoisotopic Mass: 1.0
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]+	225.15976	153.4
[M+Na]+	247.14170	162.5
[M+NH4]+	242.18630	156.1
[M+K]+	263.11564	155.1
[M-H]-	223.14520	144.5
[M+Na-2H]-	245.12715	153.4
[M]+	224.15193	151.1
[M]-	224.15303	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe