CID 13197910

2-ethyl-3,4-dihydro-2h-pyran-4-one

Structural Information

Molecular Formula
C7H10O2
SMILES
CCC1CC(=O)C=CO1
InChI
InChI=1S/C7H10O2/c1-2-7-5-6(8)3-4-9-7/h3-4,7H,2,5H2,1H3
InChIKey
WCFTXDNELIIDKI-UHFFFAOYSA-N
Compound name
2-ethyl-2,3-dihydropyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

126.06808 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 122.4
[M+Na]+ 149.057298 129.9
[M-H]- 125.060804 126.7
[M+NH4]+ 144.101903 143.5
[M+K]+ 165.031238 130.5
[M+H-H2O]+ 109.065340 117.5
[M+HCOO]- 171.066281 144.6
[M+CH3COO]- 185.081931 170.2
[M+Na-2H]- 147.042746 130.2
[M]+ 126.06753142 122.0
[M]- 126.06862858 122.0
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

patents stripe