CID 45072429

889953-58-6

Structural Information

Molecular Formula

C₁₄H₂₄N₂O₄

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2CC(C2)C(=O)O

InChI

InChI=1S/C14H24N2O4/c1-14(2,3)20-13(19)15-6-4-11(5-7-15)16-8-10(9-16)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)

InChIKey

PJUNYYOGPCHSBI-UHFFFAOYSA-N

Compound name

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azetidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 284.1736 Da
Monoisotopic Mass: -1.3
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]+	285.180876	168.5
[M+Na]+	307.162818	170.3
[M-H]-	283.166324	169.6
[M+NH4]+	302.207423	174.1
[M+K]+	323.136758	172.6
[M+H-H2O]+	267.170860	155.5
[M+HCOO]-	329.171801	178.7
[M+CH3COO]-	343.187451	200.5
[M+Na-2H]-	305.148266	167.3
[M]+	284.17305142	173.8
[M]-	284.17414858	173.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.