CID 137964367

3-ethyl-3-methyloxan-4-one

Structural Information

Molecular Formula
C8H14O2
SMILES
CCC1(COCCC1=O)C
InChI
InChI=1S/C8H14O2/c1-3-8(2)6-10-5-4-7(8)9/h3-6H2,1-2H3
InChIKey
XZMKJSHONREFAU-UHFFFAOYSA-N
Compound name
3-ethyl-3-methyloxan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 127.9
[M+Na]+ 165.088598 134.9
[M-H]- 141.092104 132.1
[M+NH4]+ 160.133203 150.3
[M+K]+ 181.062538 135.7
[M+H-H2O]+ 125.096640 123.7
[M+HCOO]- 187.097581 148.3
[M+CH3COO]- 201.113231 173.2
[M+Na-2H]- 163.074046 135.4
[M]+ 142.09883142 126.7
[M]- 142.09992858 126.7
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.