CID 187289

81603-62-5

Structural Information

Molecular Formula
C13H18O4
SMILES
COC1=C(C(=CC=C1)OC2CCCCO2)OC
InChI
InChI=1S/C13H18O4/c1-14-10-6-5-7-11(13(10)15-2)17-12-8-3-4-9-16-12/h5-7,12H,3-4,8-9H2,1-2H3
InChIKey
FEKRXXFDIFDAMS-UHFFFAOYSA-N
Compound name
2-(2,3-dimethoxyphenoxy)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.12051 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.127786 152.0
[M+Na]+ 261.109728 157.7
[M-H]- 237.113234 158.8
[M+NH4]+ 256.154333 168.2
[M+K]+ 277.083668 158.0
[M+H-H2O]+ 221.117770 144.6
[M+HCOO]- 283.118711 172.4
[M+CH3COO]- 297.134361 190.5
[M+Na-2H]- 259.095176 157.2
[M]+ 238.11996142 153.6
[M]- 238.12105858 153.6
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.