CID 62906526

4-(4-methoxybenzoyl)oxane

Structural Information

Molecular Formula
C13H16O3
SMILES
COC1=CC=C(C=C1)C(=O)C2CCOCC2
InChI
InChI=1S/C13H16O3/c1-15-12-4-2-10(3-5-12)13(14)11-6-8-16-9-7-11/h2-5,11H,6-9H2,1H3
InChIKey
IINOPBXHLGRRGK-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-(oxan-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

220.10994 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.117216 148.3
[M+Na]+ 243.099158 153.2
[M-H]- 219.102664 154.9
[M+NH4]+ 238.143763 164.8
[M+K]+ 259.073098 152.7
[M+H-H2O]+ 203.107200 141.1
[M+HCOO]- 265.108141 167.7
[M+CH3COO]- 279.123791 187.3
[M+Na-2H]- 241.084606 152.9
[M]+ 220.10939142 146.7
[M]- 220.11048858 146.7
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