CID 9543534

Suberic anhydride

Structural Information

Molecular Formula

C₈H₁₂O₃

SMILES

C1CCCC(=O)OC(=O)CC1

InChI

InChI=1S/C8H12O3/c9-7-5-3-1-2-4-6-8(10)11-7/h1-6H2

InChIKey

RMIBXGXWMDCYEK-UHFFFAOYSA-N

Compound name

oxonane-2,9-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1088
Patents: 156.07864 Da
Monoisotopic Mass: 1.3
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]+	157.08592	182.6
[M+Na]+	179.06786	184.1
[M+NH4]+	174.11246	183.7
[M+K]+	195.04180	182.4
[M-H]-	155.07136	183.0
[M+Na-2H]-	177.05331	182.0
[M]+	156.07809	183.0
[M]-	156.07919	183.0

Literature stripe

literature stripe

Patent stripe

patents stripe