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]+ 239.12779 152.0
[M+Na]+ 261.10973 157.7
[M-H]- 237.11323 158.8
[M+NH4]+ 256.15433 168.2
[M+K]+ 277.08367 158.0
[M+H-H2O]+ 221.11777 144.6
[M+HCOO]- 283.11871 172.4
[M+CH3COO]- 297.13436 190.5
[M+Na-2H]- 259.09518 157.2
[M]+ 238.11996 153.6
[M]- 238.12106 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.