CID 581383

Chalcogran

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

CCC1CCC2(O1)CCCO2

InChI

InChI=1S/C9H16O2/c1-2-8-4-6-9(11-8)5-3-7-10-9/h8H,2-7H2,1H3

InChIKey

DCWKALWZHORJAO-UHFFFAOYSA-N

Compound name

2-ethyl-1,6-dioxaspiro[4.4]nonane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 167
Patents: 156.11504 Da
Monoisotopic Mass: 1.8
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]+	157.122316	133.8
[M+Na]+	179.104258	139.9
[M-H]-	155.107764	140.1
[M+NH4]+	174.148863	157.7
[M+K]+	195.078198	141.2
[M+H-H2O]+	139.112300	130.0
[M+HCOO]-	201.113241	154.0
[M+CH3COO]-	215.128891	172.9
[M+Na-2H]-	177.089706	139.1
[M]+	156.11449142	132.0
[M]-	156.11558858	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe