CID 84707228

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

Structural Information

Molecular Formula

C₁₁H₂₀F₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCNCC1CC(F)F

InChI

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

InChIKey

XKDVKJDYVHTEPG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 250.14928 Da
Monoisotopic Mass: 1.7
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	158.8
[M+Na]+	273.138498	163.3
[M-H]-	249.142004	154.7
[M+NH4]+	268.183103	172.6
[M+K]+	289.112438	161.4
[M+H-H2O]+	233.146540	150.2
[M+HCOO]-	295.147481	169.2
[M+CH3COO]-	309.163131	191.0
[M+Na-2H]-	271.123946	159.0
[M]+	250.14873142	152.5
[M]-	250.14982858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe