CID 3022052

3-(o-benzyloxyphenoxy)-1,2-propanediol

Structural Information

Molecular Formula
C16H18O4
SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2OCC(CO)O
InChI
InChI=1S/C16H18O4/c17-10-14(18)12-20-16-9-5-4-8-15(16)19-11-13-6-2-1-3-7-13/h1-9,14,17-18H,10-12H2
InChIKey
DWFXXPGZPLELIP-UHFFFAOYSA-N
Compound name
3-(2-phenylmethoxyphenoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

274.1205 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.127776 162.6
[M+Na]+ 297.109718 167.7
[M-H]- 273.113224 166.1
[M+NH4]+ 292.154323 176.8
[M+K]+ 313.083658 164.4
[M+H-H2O]+ 257.117760 154.8
[M+HCOO]- 319.118701 183.1
[M+CH3COO]- 333.134351 193.1
[M+Na-2H]- 295.095166 166.7
[M]+ 274.11995142 164.1
[M]- 274.12104858 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

patents stripe