CID 20128

4167-35-5

Structural Information

Molecular Formula

C₉H₁₆O₃

SMILES

C1CCC2(CC1)OCC(O2)CO

InChI

InChI=1S/C9H16O3/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h8,10H,1-7H2

InChIKey

XUGYZVQSZWPABZ-UHFFFAOYSA-N

Compound name

1,4-dioxaspiro[4.5]decan-3-ylmethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 117
Patents: 172.10994 Da
Monoisotopic Mass: 0.8
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]+	173.11722	137.7
[M+Na]+	195.09916	146.9
[M+NH4]+	190.14376	147.8
[M+K]+	211.07310	142.3
[M-H]-	171.10266	142.0
[M+Na-2H]-	193.08461	142.1
[M]+	172.10939	140.2
[M]-	172.11049	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe