CID 55296550

1434141-66-8

Structural Information

Molecular Formula

C₇H₁₁F₂NO₂

SMILES

COC(=O)C1CCC(CN1)(F)F

InChI

InChI=1S/C7H11F2NO2/c1-12-6(11)5-2-3-7(8,9)4-10-5/h5,10H,2-4H2,1H3

InChIKey

DXYRZTZHEAXGOK-UHFFFAOYSA-N

Compound name

methyl 5,5-difluoropiperidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 179.07579 Da
Monoisotopic Mass: 0.9
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]+	180.08307	135.4
[M+Na]+	202.06501	142.2
[M-H]-	178.06851	133.3
[M+NH4]+	197.10961	155.3
[M+K]+	218.03895	140.8
[M+H-H2O]+	162.07305	128.6
[M+HCOO]-	224.07399	151.0
[M+CH3COO]-	238.08964	175.9
[M+Na-2H]-	200.05046	139.3
[M]+	179.07524	128.7
[M]-	179.07634	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe