CID 155821608

2445794-11-4

Structural Information

Molecular Formula

C₁₅H₂₅NO₅

SMILES

CC(C)(C)OC(=O)NCC1CCCC2(O1)CC(C2)C(=O)O

InChI

InChI=1S/C15H25NO5/c1-14(2,3)21-13(19)16-9-11-5-4-6-15(20-11)7-10(8-15)12(17)18/h10-11H,4-9H2,1-3H3,(H,16,19)(H,17,18)

InChIKey

XWOGWNSEVNYTLM-UHFFFAOYSA-N

Compound name

6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-oxaspiro[3.5]nonane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 299.17328 Da
Monoisotopic Mass: 1.6
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]+	300.180556	169.4
[M+Na]+	322.162498	170.3
[M-H]-	298.166004	172.9
[M+NH4]+	317.207103	177.7
[M+K]+	338.136438	174.3
[M+H-H2O]+	282.170540	158.8
[M+HCOO]-	344.171481	182.1
[M+CH3COO]-	358.187131	204.0
[M+Na-2H]-	320.147946	171.8
[M]+	299.17273142	176.1
[M]-	299.17382858	176.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.