CID 10374536

67911-21-1

Structural Information

Molecular Formula

C₇H₈O₃

SMILES

CC1(C2C1C(=O)OC2=O)C

InChI

InChI=1S/C7H8O3/c1-7(2)3-4(7)6(9)10-5(3)8/h3-4H,1-2H3

InChIKey

QKAHKEDLPBJLFD-UHFFFAOYSA-N

Compound name

6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 306
Patents: 140.04735 Da
Monoisotopic Mass: 0.6
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]+	141.05463	128.1
[M+Na]+	163.03657	140.7
[M+NH4]+	158.08117	138.5
[M+K]+	179.01051	137.5
[M-H]-	139.04007	136.9
[M+Na-2H]-	161.02202	134.7
[M]+	140.04680	133.6
[M]-	140.04790	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe