CID 74341

3-benzyloxybenzyl alcohol

Structural Information

Molecular Formula
C14H14O2
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)CO
InChI
InChI=1S/C14H14O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2
InChIKey
AFKLSWIRJUJWKY-UHFFFAOYSA-N
Compound name
(3-phenylmethoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

490
Patents

214.09938 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10666 146.6
[M+Na]+ 237.08860 153.7
[M-H]- 213.09210 151.9
[M+NH4]+ 232.13320 164.3
[M+K]+ 253.06254 149.9
[M+H-H2O]+ 197.09664 139.5
[M+HCOO]- 259.09758 169.9
[M+CH3COO]- 273.11323 184.6
[M+Na-2H]- 235.07405 153.5
[M]+ 214.09883 147.0
[M]- 214.09993 147.0
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