CID 84803909

1782510-19-3

Structural Information

Molecular Formula

C₁₁H₂₀F₂N₂O₂

SMILES

CC1(CCNCC1(F)F)NC(=O)OC(C)(C)C

InChI

InChI=1S/C11H20F2N2O2/c1-9(2,3)17-8(16)15-10(4)5-6-14-7-11(10,12)13/h14H,5-7H2,1-4H3,(H,15,16)

InChIKey

KNOOEDGFEUTYSP-UHFFFAOYSA-N

Compound name

tert-butyl N-(3,3-difluoro-4-methylpiperidin-4-yl)carbamate

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	155.5
[M+Na]+	273.138498	161.3
[M-H]-	249.142004	153.4
[M+NH4]+	268.183103	174.5
[M+K]+	289.112438	159.8
[M+H-H2O]+	233.146540	149.6
[M+HCOO]-	295.147481	169.3
[M+CH3COO]-	309.163131	191.7
[M+Na-2H]-	271.123946	160.0
[M]+	250.14873142	149.4
[M]-	250.14982858	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.