CID 65331952

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

Structural Information

Molecular Formula
C8H14O2
SMILES
CCC(=O)C1CCCOC1
InChI
InChI=1S/C8H14O2/c1-2-8(9)7-4-3-5-10-6-7/h7H,2-6H2,1H3
InChIKey
FGHQPNYAHBYNOH-UHFFFAOYSA-N
Compound name
1-(oxan-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

142.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 130.3
[M+Na]+ 165.08860 135.0
[M-H]- 141.09210 133.7
[M+NH4]+ 160.13320 150.2
[M+K]+ 181.06254 136.0
[M+H-H2O]+ 125.09664 124.9
[M+HCOO]- 187.09758 149.6
[M+CH3COO]- 201.11323 173.3
[M+Na-2H]- 163.07405 135.8
[M]+ 142.09883 127.7
[M]- 142.09993 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