CID 74338

3,4-bis(benzyloxy)benzyl alcohol

Structural Information

Molecular Formula
C21H20O3
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)CO)OCC3=CC=CC=C3
InChI
InChI=1S/C21H20O3/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)21(13-19)24-16-18-9-5-2-6-10-18/h1-13,22H,14-16H2
InChIKey
LADVXQNFPXBLDY-UHFFFAOYSA-N
Compound name
[3,4-bis(phenylmethoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

320.14124 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14852 176.2
[M+Na]+ 343.13046 182.1
[M-H]- 319.13396 184.1
[M+NH4]+ 338.17506 189.0
[M+K]+ 359.10440 176.9
[M+H-H2O]+ 303.13850 166.6
[M+HCOO]- 365.13944 198.4
[M+CH3COO]- 379.15509 204.8
[M+Na-2H]- 341.11591 180.9
[M]+ 320.14069 177.9
[M]- 320.14179 177.9
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