CID 97184546

2307755-76-4

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

CCO[C@H]1CC(=O)[C@@]12CCCO2

InChI

InChI=1S/C9H14O3/c1-2-11-8-6-7(10)9(8)4-3-5-12-9/h8H,2-6H2,1H3/t8-,9-/m0/s1

InChIKey

GSYAMIGDGVVWAF-IUCAKERBSA-N

Compound name

(1S,4R)-1-ethoxy-5-oxaspiro[3.4]octan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.0943 Da
Monoisotopic Mass: 0.3
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]+	171.101576	127.6
[M+Na]+	193.083518	133.6
[M-H]-	169.087024	133.9
[M+NH4]+	188.128123	144.4
[M+K]+	209.057458	136.9
[M+H-H2O]+	153.091560	119.3
[M+HCOO]-	215.092501	148.2
[M+CH3COO]-	229.108151	180.0
[M+Na-2H]-	191.068966	133.8
[M]+	170.09375142	136.8
[M]-	170.09484858	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.