CID 87337305

2171110-69-1

Structural Information

Molecular Formula

C₇H₆O₄

SMILES

C1COCC2=C1C(=O)OC2=O

InChI

InChI=1S/C7H6O4/c8-6-4-1-2-10-3-5(4)7(9)11-6/h1-3H2

InChIKey

JCBMWZOVLSJQLX-UHFFFAOYSA-N

Compound name

6,7-dihydro-4H-furo[3,4-c]pyran-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 154.02661 Da
Monoisotopic Mass: -0.4
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]+	155.03389	124.1
[M+Na]+	177.01583	133.1
[M-H]-	153.01933	130.2
[M+NH4]+	172.06043	145.5
[M+K]+	192.98977	134.3
[M+H-H2O]+	137.02387	120.1
[M+HCOO]-	199.02481	145.1
[M+CH3COO]-	213.04046	172.8
[M+Na-2H]-	175.00128	131.9
[M]+	154.02606	125.0
[M]-	154.02716	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe