CID 21192511

281652-10-6

Structural Information

Molecular Formula

C₁₀H₁₇F₂NO₂

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(F)F

InChI

InChI=1S/C10H17F2NO2/c1-9(2,3)15-8(14)13-6-4-10(11,12)5-7-13/h4-7H2,1-3H3

InChIKey

HHBBBPZPEBZLII-UHFFFAOYSA-N

Compound name

tert-butyl 4,4-difluoropiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 143
Patents: 221.12274 Da
Monoisotopic Mass: 2.3
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]+	222.13002	148.1
[M+Na]+	244.11196	154.6
[M-H]-	220.11546	147.3
[M+NH4]+	239.15656	167.3
[M+K]+	260.08590	153.9
[M+H-H2O]+	204.12000	141.3
[M+HCOO]-	266.12094	162.7
[M+CH3COO]-	280.13659	186.6
[M+Na-2H]-	242.09741	151.8
[M]+	221.12219	143.8
[M]-	221.12329	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe