CID 15320607

191659-62-8

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

C1CCO[C@]2(C1)[C@H](CC=CO2)O

InChI

InChI=1S/C9H14O3/c10-8-4-3-7-12-9(8)5-1-2-6-11-9/h3,7-8,10H,1-2,4-6H2/t8-,9-/m0/s1

InChIKey

ONXDQWOWICPGFW-IUCAKERBSA-N

Compound name

(5S,6S)-1,7-dioxaspiro[5.5]undec-2-en-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.0943 Da
Monoisotopic Mass: 0.9
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	134.8
[M+Na]+	193.083518	139.7
[M-H]-	169.087024	139.7
[M+NH4]+	188.128123	153.7
[M+K]+	209.057458	140.8
[M+H-H2O]+	153.091560	129.2
[M+HCOO]-	215.092501	150.9
[M+CH3COO]-	229.108151	172.3
[M+Na-2H]-	191.068966	143.6
[M]+	170.09375142	129.8
[M]-	170.09484858	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.