CID 140281575

Dtxsid701369834

Structural Information

Molecular Formula
C9H14O2
SMILES
CCC1=C(CC(C(=O)O1)C)C
InChI
InChI=1S/C9H14O2/c1-4-8-6(2)5-7(3)9(10)11-8/h7H,4-5H2,1-3H3
InChIKey
BOQBORSPZGXTCN-UHFFFAOYSA-N
Compound name
6-ethyl-3,5-dimethyl-3,4-dihydropyran-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

154.09938 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 130.3
[M+Na]+ 177.088598 138.9
[M-H]- 153.092104 135.1
[M+NH4]+ 172.133203 151.0
[M+K]+ 193.062538 139.0
[M+H-H2O]+ 137.096640 125.5
[M+HCOO]- 199.097581 151.8
[M+CH3COO]- 213.113231 178.6
[M+Na-2H]- 175.074046 135.8
[M]+ 154.09883142 131.5
[M]- 154.09992858 131.5
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