CID 137965647

2230798-51-1

Structural Information

Molecular Formula

C₁₅H₂₅NO₅

SMILES

CC(C)(C)OC(=O)N1CC2(CCOCC2)CC1CC(=O)O

InChI

InChI=1S/C15H25NO5/c1-14(2,3)21-13(19)16-10-15(4-6-20-7-5-15)9-11(16)8-12(17)18/h11H,4-10H2,1-3H3,(H,17,18)

InChIKey

JRQPQIOKVCANRZ-UHFFFAOYSA-N

Compound name

2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decan-3-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 299.17328 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]+	300.180556	170.3
[M+Na]+	322.162498	173.8
[M-H]-	298.166004	172.8
[M+NH4]+	317.207103	186.0
[M+K]+	338.136438	174.0
[M+H-H2O]+	282.170540	165.1
[M+HCOO]-	344.171481	182.0
[M+CH3COO]-	358.187131	196.9
[M+Na-2H]-	320.147946	171.4
[M]+	299.17273142	168.1
[M]-	299.17382858	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.