CID 73557080

102083-79-4

Structural Information

Molecular Formula

C₁₃H₁₄O₆

SMILES

CC1CC2C(CC1C3CC(=O)OC3=O)C(=O)OC2=O

InChI

InChI=1S/C13H14O6/c1-5-2-7-8(13(17)19-12(7)16)3-6(5)9-4-10(14)18-11(9)15/h5-9H,2-4H2,1H3

InChIKey

XPOYFTQNGYEDRD-UHFFFAOYSA-N

Compound name

5-(2,5-dioxooxolan-3-yl)-6-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 101
Patents: 266.07904 Da
Monoisotopic Mass: 0.5
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]+	267.086316	153.9
[M+Na]+	289.068258	162.2
[M-H]-	265.071764	163.0
[M+NH4]+	284.112863	172.6
[M+K]+	305.042198	161.9
[M+H-H2O]+	249.076300	150.8
[M+HCOO]-	311.077241	171.2
[M+CH3COO]-	325.092891	196.5
[M+Na-2H]-	287.053706	153.4
[M]+	266.07849142	154.1
[M]-	266.07958858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe