CID 29716

3-ethyl-5-methyldihydro-2(3h)-furanone

Structural Information

Molecular Formula
C7H12O2
SMILES
CCC1CC(OC1=O)C
InChI
InChI=1S/C7H12O2/c1-3-6-4-5(2)9-7(6)8/h5-6H,3-4H2,1-2H3
InChIKey
TVSURRUHJZSEFC-UHFFFAOYSA-N
Compound name
3-ethyl-5-methyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

128.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 125.3
[M+Na]+ 151.07294 136.1
[M+NH4]+ 146.11754 134.0
[M+K]+ 167.04688 132.8
[M-H]- 127.07644 127.7
[M+Na-2H]- 149.05839 129.0
[M]+ 128.08317 127.3
[M]- 128.08427 127.3
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