CID 83853729

Tert-butyl 2-(1,1-difluoroethyl)piperazine-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₂₀F₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCNCC1C(C)(F)F

InChI

InChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-6-5-14-7-8(15)11(4,12)13/h8,14H,5-7H2,1-4H3

InChIKey

BHGXNOBFXICWOO-UHFFFAOYSA-N

Compound name

tert-butyl 2-(1,1-difluoroethyl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 250.14928 Da
Monoisotopic Mass: 1.6
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]+	251.156556	158.7
[M+Na]+	273.138498	163.9
[M-H]-	249.142004	154.9
[M+NH4]+	268.183103	172.7
[M+K]+	289.112438	162.0
[M+H-H2O]+	233.146540	150.8
[M+HCOO]-	295.147481	168.5
[M+CH3COO]-	309.163131	190.7
[M+Na-2H]-	271.123946	161.0
[M]+	250.14873142	152.5
[M]-	250.14982858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.