CID 68402707

1270982-18-7

Structural Information

Molecular Formula

C₁₀H₁₈F₂N₂O₂

SMILES

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

InChI

InChI=1S/C10H18F2N2O2/c1-10(2,3)16-9(15)14-5-4-13-6-7(14)8(11)12/h7-8,13H,4-6H2,1-3H3

InChIKey

FQCASEFLOGAOJM-UHFFFAOYSA-N

Compound name

tert-butyl 2-(difluoromethyl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 236.13364 Da
Monoisotopic Mass: 1.4
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]+	237.140916	154.2
[M+Na]+	259.122858	159.2
[M-H]-	235.126364	150.3
[M+NH4]+	254.167463	168.6
[M+K]+	275.096798	157.5
[M+H-H2O]+	219.130900	145.9
[M+HCOO]-	281.131841	165.0
[M+CH3COO]-	295.147491	188.0
[M+Na-2H]-	257.108306	154.9
[M]+	236.13309142	147.6
[M]-	236.13418858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe