CID 21724343

1-(oxan-3-yl)propan-2-one

Structural Information

Molecular Formula
C8H14O2
SMILES
CC(=O)CC1CCCOC1
InChI
InChI=1S/C8H14O2/c1-7(9)5-8-3-2-4-10-6-8/h8H,2-6H2,1H3
InChIKey
UIWCYXGMCFTTTC-UHFFFAOYSA-N
Compound name
1-(oxan-3-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

142.09938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 130.3
[M+Na]+ 165.088598 135.0
[M-H]- 141.092104 133.7
[M+NH4]+ 160.133203 150.2
[M+K]+ 181.062538 136.0
[M+H-H2O]+ 125.096640 124.9
[M+HCOO]- 187.097581 149.6
[M+CH3COO]- 201.113231 173.3
[M+Na-2H]- 163.074046 135.8
[M]+ 142.09883142 127.7
[M]- 142.09992858 127.7
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

patents stripe