CID 57790581

944142-61-4

Structural Information

Molecular Formula

C₁₅H₂₇NO₄

SMILES

CC(C)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C15H27NO4/c1-11(2)10-15(12(17)18)6-8-16(9-7-15)13(19)20-14(3,4)5/h11H,6-10H2,1-5H3,(H,17,18)

InChIKey

BPGRMXNUHVYMRV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 285.194 Da
Monoisotopic Mass: 2.6
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]+	286.201276	168.1
[M+Na]+	308.183218	171.7
[M-H]-	284.186724	167.9
[M+NH4]+	303.227823	183.9
[M+K]+	324.157158	171.5
[M+H-H2O]+	268.191260	163.1
[M+HCOO]-	330.192201	180.4
[M+CH3COO]-	344.207851	198.7
[M+Na-2H]-	306.168666	168.2
[M]+	285.19345142	167.3
[M]-	285.19454858	167.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe