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

51
Patents

130.06299 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.070266 124.3
[M+Na]+ 153.052208 130.0
[M-H]- 129.055714 128.7
[M+NH4]+ 148.096813 143.3
[M+K]+ 169.026148 132.8
[M+H-H2O]+ 113.060250 119.2
[M+HCOO]- 175.061191 143.6
[M+CH3COO]- 189.076841 169.5
[M+Na-2H]- 151.037656 132.0
[M]+ 130.06244142 123.1
[M]- 130.06353858 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

literature stripe

Patent stripe

patents stripe