CID 12475

3,4,5,6-tetrahydrophthalic anhydride

Structural Information

Molecular Formula

C₈H₈O₃

SMILES

C1CCC2=C(C1)C(=O)OC2=O

InChI

InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H2

InChIKey

HMMBJOWWRLZEMI-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrahydro-2-benzofuran-1,3-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 7
References: 7290
Patents: 152.04735 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]+	153.05463	128.0
[M+Na]+	175.03657	139.2
[M+NH4]+	170.08117	137.0
[M+K]+	191.01051	135.9
[M-H]-	151.04007	130.6
[M+Na-2H]-	173.02202	131.5
[M]+	152.04680	130.1
[M]-	152.04790	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe