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: 3584
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	151.2
[M+Na]+	247.14170	158.1
[M-H]-	223.14520	149.8
[M+NH4]+	242.18630	164.9
[M+K]+	263.11564	155.9
[M+H-H2O]+	207.14974	138.0
[M+HCOO]-	269.15068	161.0
[M+CH3COO]-	283.16633	196.0
[M+Na-2H]-	245.12715	153.2
[M]+	224.15193	144.2
[M]-	224.15303	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe