CID 201240

7-phenyl-2,6,8-trioxaspiro[3.5]nonane

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

C1C2(CO1)COC(OC2)C3=CC=CC=C3

InChI

InChI=1S/C12H14O3/c1-2-4-10(5-3-1)11-14-8-12(9-15-11)6-13-7-12/h1-5,11H,6-9H2

InChIKey

YBVCSHYBKWDNLD-UHFFFAOYSA-N

Compound name

7-phenyl-2,6,8-trioxaspiro[3.5]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.0943 Da
Monoisotopic Mass: 1.1
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]+	207.101576	132.0
[M+Na]+	229.083518	136.8
[M-H]-	205.087024	142.0
[M+NH4]+	224.128123	142.5
[M+K]+	245.057458	142.1
[M+H-H2O]+	189.091560	121.1
[M+HCOO]-	251.092501	149.2
[M+CH3COO]-	265.108151	145.0
[M+Na-2H]-	227.068966	142.6
[M]+	206.09375142	139.2
[M]-	206.09484858	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.