CID 504290

8,8-dimethyl-3,7,9-trioxaspiro[4.4]nonan-2-ol

Structural Information

Molecular Formula

C₈H₁₄O₄

SMILES

CC1(OCC2(O1)CC(OC2)O)C

InChI

InChI=1S/C8H14O4/c1-7(2)11-5-8(12-7)3-6(9)10-4-8/h6,9H,3-5H2,1-2H3

InChIKey

IWVTYKMZAQTICD-UHFFFAOYSA-N

Compound name

2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 174.0892 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]+	175.096476	132.3
[M+Na]+	197.078418	140.2
[M-H]-	173.081924	138.7
[M+NH4]+	192.123023	155.6
[M+K]+	213.052358	142.7
[M+H-H2O]+	157.086460	130.5
[M+HCOO]-	219.087401	150.7
[M+CH3COO]-	233.103051	172.8
[M+Na-2H]-	195.063866	139.8
[M]+	174.08865142	132.8
[M]-	174.08974858	132.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.