CID 10106900

661458-34-0

Structural Information

Molecular Formula

C₁₁H₁₇F₂NO₄

SMILES

CC(C)(C)OC(=O)N1CCC(CC1C(=O)O)(F)F

InChI

InChI=1S/C11H17F2NO4/c1-10(2,3)18-9(17)14-5-4-11(12,13)6-7(14)8(15)16/h7H,4-6H2,1-3H3,(H,15,16)

InChIKey

BEYLYGCFFXJNQM-UHFFFAOYSA-N

Compound name

4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 141
Patents: 265.11258 Da
Monoisotopic Mass: 1.9
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]+	266.11986	161.0
[M+Na]+	288.10180	166.9
[M+NH4]+	283.14640	165.7
[M+K]+	304.07574	163.1
[M-H]-	264.10530	155.7
[M+Na-2H]-	286.08725	162.0
[M]+	265.11203	159.8
[M]-	265.11313	159.8

Literature stripe

literature stripe

Patent stripe

patents stripe