CID 10899815

2-(4-methoxyphenoxy)oxane

Structural Information

Molecular Formula
C12H16O3
SMILES
COC1=CC=C(C=C1)OC2CCCCO2
InChI
InChI=1S/C12H16O3/c1-13-10-5-7-11(8-6-10)15-12-4-2-3-9-14-12/h5-8,12H,2-4,9H2,1H3
InChIKey
WFWSREBPXRRQQR-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenoxy)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

208.10994 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.117216 144.6
[M+Na]+ 231.099158 149.9
[M-H]- 207.102664 151.2
[M+NH4]+ 226.143763 161.7
[M+K]+ 247.073098 149.8
[M+H-H2O]+ 191.107200 137.4
[M+HCOO]- 253.108141 165.1
[M+CH3COO]- 267.123791 184.2
[M+Na-2H]- 229.084606 151.0
[M]+ 208.10939142 144.0
[M]- 208.11048858 144.0
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