CID 85689

Hexahydrophthalic anhydride

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

C1CCC2C(C1)C(=O)OC2=O

InChI

InChI=1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2

InChIKey

MUTGBJKUEZFXGO-UHFFFAOYSA-N

Compound name

3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 137
References: 83370
Patents: 154.06299 Da
Monoisotopic Mass: 1.2
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]+	155.07027	129.9
[M+Na]+	177.05221	140.1
[M+NH4]+	172.09681	138.7
[M+K]+	193.02615	136.9
[M-H]-	153.05571	132.2
[M+Na-2H]-	175.03766	132.4
[M]+	154.06244	131.7
[M]-	154.06354	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe