CID 165464035

2770358-72-8

Structural Information

Molecular Formula

C₁₇H₂₇NO₄

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CC23CC(C2)(C3)C(=O)O

InChI

InChI=1S/C17H27NO4/c1-15(2,3)22-14(21)18-6-4-12(5-7-18)8-16-9-17(10-16,11-16)13(19)20/h12H,4-11H2,1-3H3,(H,19,20)

InChIKey

YCNXBBISXWJTOF-UHFFFAOYSA-N

Compound name

3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 309.194 Da
Monoisotopic Mass: 2.5
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]+	310.201276	193.4
[M+Na]+	332.183218	192.8
[M-H]-	308.186724	194.9
[M+NH4]+	327.227823	193.2
[M+K]+	348.157158	199.0
[M+H-H2O]+	292.191260	178.4
[M+HCOO]-	354.192201	197.6
[M+CH3COO]-	368.207851	224.7
[M+Na-2H]-	330.168666	193.9
[M]+	309.19345142	216.0
[M]-	309.19454858	216.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.