CID 140956863

90989-09-6

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

CC1C(C2C1C(=O)OC2=O)C

InChI

InChI=1S/C8H10O3/c1-3-4(2)6-5(3)7(9)11-8(6)10/h3-6H,1-2H3

InChIKey

YFXXQXCWRNTCCY-UHFFFAOYSA-N

Compound name

6,7-dimethyl-3-oxabicyclo[3.2.0]heptane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.06299 Da
Monoisotopic Mass: 1.0
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	129.0
[M+Na]+	177.05221	135.3
[M+NH4]+	172.09681	133.4
[M+K]+	193.02615	134.7
[M-H]-	153.05571	127.9
[M+Na-2H]-	175.03766	128.3
[M]+	154.06244	128.2
[M]-	154.06354	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe