CID 300689

1,5-bis(2-hydroxyphenoxy)-3-oxapentane

Structural Information

Molecular Formula
C16H18O5
SMILES
C1=CC=C(C(=C1)O)OCCOCCOC2=CC=CC=C2O
InChI
InChI=1S/C16H18O5/c17-13-5-1-3-7-15(13)20-11-9-19-10-12-21-16-8-4-2-6-14(16)18/h1-8,17-18H,9-12H2
InChIKey
OSXPDVOEVXVYKC-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

31
Patents

290.11542 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12270 164.8
[M+Na]+ 313.10464 170.9
[M-H]- 289.10814 168.6
[M+NH4]+ 308.14924 178.6
[M+K]+ 329.07858 167.9
[M+H-H2O]+ 273.11268 156.8
[M+HCOO]- 335.11362 186.4
[M+CH3COO]- 349.12927 195.6
[M+Na-2H]- 311.09009 169.5
[M]+ 290.11487 168.7
[M]- 290.11597 168.7
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