CID 155823306

2169090-39-3

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

C1CC2(C1)COCC(O2)CO

InChI

InChI=1S/C8H14O3/c9-4-7-5-10-6-8(11-7)2-1-3-8/h7,9H,1-6H2

InChIKey

HIBCDLJGRJXEIV-UHFFFAOYSA-N

Compound name

5,8-dioxaspiro[3.5]nonan-6-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.0943 Da
Monoisotopic Mass: -0.2
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]+	159.101576	124.3
[M+Na]+	181.083518	128.5
[M-H]-	157.087024	129.4
[M+NH4]+	176.128123	137.6
[M+K]+	197.057458	133.2
[M+H-H2O]+	141.091560	115.1
[M+HCOO]-	203.092501	140.7
[M+CH3COO]-	217.108151	174.8
[M+Na-2H]-	179.068966	133.4
[M]+	158.09375142	130.3
[M]-	158.09484858	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.