CID 54345126

1-(1,4-dioxan-2-yl)ethan-1-one

Structural Information

Molecular Formula
C6H10O3
SMILES
CC(=O)C1COCCO1
InChI
InChI=1S/C6H10O3/c1-5(7)6-4-8-2-3-9-6/h6H,2-4H2,1H3
InChIKey
UBUGZBNRJIFIRK-UHFFFAOYSA-N
Compound name
1-(1,4-dioxan-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

130.06299 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.07027 124.3
[M+Na]+ 153.05221 130.0
[M-H]- 129.05571 128.7
[M+NH4]+ 148.09681 143.3
[M+K]+ 169.02615 132.8
[M+H-H2O]+ 113.06025 119.2
[M+HCOO]- 175.06119 143.6
[M+CH3COO]- 189.07684 169.5
[M+Na-2H]- 151.03766 132.0
[M]+ 130.06244 123.1
[M]- 130.06354 123.1
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.