CID 3065783

Brn 3405085

Structural Information

Molecular Formula
C16H18O4
SMILES
C1=CC=C(C=C1)COC2=CC(=CC=C2)OCC(CO)O
InChI
InChI=1S/C16H18O4/c17-10-14(18)12-20-16-8-4-7-15(9-16)19-11-13-5-2-1-3-6-13/h1-9,14,17-18H,10-12H2
InChIKey
SRPGWEOMGJFGCQ-UHFFFAOYSA-N
Compound name
3-(3-phenylmethoxyphenoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1205 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12778 163.6
[M+Na]+ 297.10972 176.2
[M+NH4]+ 292.15432 170.8
[M+K]+ 313.08366 169.7
[M-H]- 273.11322 166.5
[M+Na-2H]- 295.09517 171.2
[M]+ 274.11995 166.1
[M]- 274.12105 166.1
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.