CID 11595231

644981-80-6

Structural Information

Molecular Formula

C₁₈H₂₄FNO₄

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CC(=O)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H24FNO4/c1-17(2,3)24-16(23)20-10-8-18(9-11-20,12-15(21)22)13-4-6-14(19)7-5-13/h4-7H,8-12H2,1-3H3,(H,21,22)

InChIKey

HVLHOGZMJHSRMM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 337.16895 Da
Monoisotopic Mass: 3.0
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]+	338.176226	179.2
[M+Na]+	360.158168	183.8
[M-H]-	336.161674	181.1
[M+NH4]+	355.202773	192.5
[M+K]+	376.132108	181.4
[M+H-H2O]+	320.166210	171.3
[M+HCOO]-	382.167151	191.7
[M+CH3COO]-	396.182801	206.5
[M+Na-2H]-	358.143616	180.0
[M]+	337.16840142	176.6
[M]-	337.16949858	176.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe