CID 14394611

3,5-dimethyl-3,4-dihydro-2h-pyran-4-one

Structural Information

Molecular Formula
C7H10O2
SMILES
CC1COC=C(C1=O)C
InChI
InChI=1S/C7H10O2/c1-5-3-9-4-6(2)7(5)8/h3,6H,4H2,1-2H3
InChIKey
LXYQBTWDDNQNMX-UHFFFAOYSA-N
Compound name
3,5-dimethyl-2,3-dihydropyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 121.6
[M+Na]+ 149.057298 130.1
[M-H]- 125.060804 126.4
[M+NH4]+ 144.101903 143.1
[M+K]+ 165.031238 130.7
[M+H-H2O]+ 109.065340 117.0
[M+HCOO]- 171.066281 143.8
[M+CH3COO]- 185.081931 171.3
[M+Na-2H]- 147.042746 128.9
[M]+ 126.06753142 121.6
[M]- 126.06862858 121.6
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.