CID 14872649

3,3-diethyloxolan-2-one

Structural Information

Molecular Formula
C8H14O2
SMILES
CCC1(CCOC1=O)CC
InChI
InChI=1S/C8H14O2/c1-3-8(4-2)5-6-10-7(8)9/h3-6H2,1-2H3
InChIKey
OKKTUDVXPHANCU-UHFFFAOYSA-N
Compound name
3,3-diethyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

93
Patents

142.09938 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 128.1
[M+Na]+ 165.08860 135.9
[M-H]- 141.09210 132.3
[M+NH4]+ 160.13320 152.3
[M+K]+ 181.06254 136.4
[M+H-H2O]+ 125.09664 124.4
[M+HCOO]- 187.09758 150.5
[M+CH3COO]- 201.11323 172.9
[M+Na-2H]- 163.07405 134.3
[M]+ 142.09883 128.9
[M]- 142.09993 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe