CID 138039617

2241142-07-2

Structural Information

Molecular Formula

C₁₆H₂₇NO₄

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2CCCC2C(=O)O

InChI

InChI=1S/C16H27NO4/c1-16(2,3)21-15(20)17-9-7-11(8-10-17)12-5-4-6-13(12)14(18)19/h11-13H,4-10H2,1-3H3,(H,18,19)

InChIKey

WSKHOHYWEYQKLM-UHFFFAOYSA-N

Compound name

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 297.194 Da
Monoisotopic Mass: 2.9
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]+	298.201276	172.8
[M+Na]+	320.183218	175.1
[M-H]-	296.186724	175.4
[M+NH4]+	315.227823	187.5
[M+K]+	336.157158	173.6
[M+H-H2O]+	280.191260	166.4
[M+HCOO]-	342.192201	184.9
[M+CH3COO]-	356.207851	199.0
[M+Na-2H]-	318.168666	169.6
[M]+	297.19345142	168.1
[M]-	297.19454858	168.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.