CID 105514240

1784989-48-5

Structural Information

Molecular Formula

C₁₂H₂₀FNO₄

SMILES

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

InChI

InChI=1S/C12H20FNO4/c1-12(2,3)18-11(17)14-6-4-8(5-7-14)9(13)10(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)

InChIKey

GHBHSIVIQUFUKJ-UHFFFAOYSA-N

Compound name

2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 261.13763 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]+	262.144906	158.8
[M+Na]+	284.126848	162.8
[M-H]-	260.130354	157.5
[M+NH4]+	279.171453	173.3
[M+K]+	300.100788	162.3
[M+H-H2O]+	244.134890	152.0
[M+HCOO]-	306.135831	171.0
[M+CH3COO]-	320.151481	192.9
[M+Na-2H]-	282.112296	158.3
[M]+	261.13708142	155.3
[M]-	261.13817858	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe