CID 84811550

1780795-56-3

Structural Information

Molecular Formula

C₁₂H₁₉F₂NO₄

SMILES

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

InChI

InChI=1S/C12H19F2NO4/c1-11(2,3)19-10(18)15-6-4-12(5-7-15,8(13)14)9(16)17/h8H,4-7H2,1-3H3,(H,16,17)

InChIKey

JEDQLOBMXYSEBP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 279.1282 Da
Monoisotopic Mass: 1.8
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]+	280.135476	160.7
[M+Na]+	302.117418	165.6
[M-H]-	278.120924	158.2
[M+NH4]+	297.162023	176.5
[M+K]+	318.091358	165.2
[M+H-H2O]+	262.125460	154.1
[M+HCOO]-	324.126401	171.8
[M+CH3COO]-	338.142051	195.1
[M+Na-2H]-	300.102866	161.0
[M]+	279.12765142	156.3
[M]-	279.12874858	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe