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 162.6
[M+Na]+ 297.10972 167.7
[M-H]- 273.11322 166.1
[M+NH4]+ 292.15432 176.8
[M+K]+ 313.08366 164.4
[M+H-H2O]+ 257.11776 154.8
[M+HCOO]- 319.11870 183.1
[M+CH3COO]- 333.13435 193.1
[M+Na-2H]- 295.09517 166.7
[M]+ 274.11995 164.1
[M]- 274.12105 164.1
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.