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

67
Patents

156.07864 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.085916 128.3
[M+Na]+ 179.067858 137.3
[M-H]- 155.071364 132.9
[M+NH4]+ 174.112463 152.1
[M+K]+ 195.041798 137.6
[M+H-H2O]+ 139.075900 124.9
[M+HCOO]- 201.076841 151.1
[M+CH3COO]- 215.092491 175.2
[M+Na-2H]- 177.053306 134.1
[M]+ 156.07809142 130.3
[M]- 156.07918858 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