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]+ 155.10666 130.3
[M+Na]+ 177.08860 138.9
[M-H]- 153.09210 135.1
[M+NH4]+ 172.13320 151.0
[M+K]+ 193.06254 139.0
[M+H-H2O]+ 137.09664 125.5
[M+HCOO]- 199.09758 151.8
[M+CH3COO]- 213.11323 178.6
[M+Na-2H]- 175.07405 135.8
[M]+ 154.09883 131.5
[M]- 154.09993 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

No patent data available for this compound.