CID 14015767

6-ethyltetrahydro-3,5-dimethyl-2h-pyran-2-one

Structural Information

Molecular Formula
C9H16O2
SMILES
CCC1C(CC(C(=O)O1)C)C
InChI
InChI=1S/C9H16O2/c1-4-8-6(2)5-7(3)9(10)11-8/h6-8H,4-5H2,1-3H3
InChIKey
TUTVYKJWIWCAEN-UHFFFAOYSA-N
Compound name
6-ethyl-3,5-dimethyloxan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

156.11504 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 132.4
[M+Na]+ 179.10426 139.9
[M-H]- 155.10776 136.8
[M+NH4]+ 174.14886 152.9
[M+K]+ 195.07820 140.2
[M+H-H2O]+ 139.11230 127.6
[M+HCOO]- 201.11324 152.4
[M+CH3COO]- 215.12889 179.0
[M+Na-2H]- 177.08971 136.8
[M]+ 156.11449 132.0
[M]- 156.11559 132.0
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

No patent data available for this compound.