CID 72207657

1263180-22-8

Structural Information

Molecular Formula

C₁₀H₁₈F₂N₂O₂

SMILES

CC(C)(C)OC(=O)NC1CCNCC1(F)F

InChI

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

InChIKey

BUKXGGNFFUMWRC-UHFFFAOYSA-N

Compound name

tert-butyl N-(3,3-difluoropiperidin-4-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
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	152.7
[M+Na]+	259.122858	157.9
[M-H]-	235.126364	150.4
[M+NH4]+	254.167463	170.2
[M+K]+	275.096798	156.3
[M+H-H2O]+	219.130900	145.8
[M+HCOO]-	281.131841	166.8
[M+CH3COO]-	295.147491	188.9
[M+Na-2H]-	257.108306	156.3
[M]+	236.13309142	145.8
[M]-	236.13418858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe