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

literature stripe

Patent stripe

patents stripe