CID 137741

2840-69-9

Structural Information

Molecular Formula
C8H12O3
SMILES
CCC1(CC(=O)OC1=O)CC
InChI
InChI=1S/C8H12O3/c1-3-8(4-2)5-6(9)11-7(8)10/h3-5H2,1-2H3
InChIKey
LIBJDZLMEPZABX-UHFFFAOYSA-N
Compound name
3,3-diethyloxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

156.07864 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 128.3
[M+Na]+ 179.06786 137.3
[M-H]- 155.07136 132.9
[M+NH4]+ 174.11246 152.1
[M+K]+ 195.04180 137.6
[M+H-H2O]+ 139.07590 124.9
[M+HCOO]- 201.07684 151.1
[M+CH3COO]- 215.09249 175.2
[M+Na-2H]- 177.05331 134.1
[M]+ 156.07809 130.3
[M]- 156.07919 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe