CID 138794

4-benzyloxyanisole

Structural Information

Molecular Formula
C14H14O2
SMILES
COC1=CC=C(C=C1)OCC2=CC=CC=C2
InChI
InChI=1S/C14H14O2/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey
YXPFQYIWXTVCKV-UHFFFAOYSA-N
Compound name
1-methoxy-4-phenylmethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

214.09938 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.106656 146.2
[M+Na]+ 237.088598 153.7
[M-H]- 213.092104 153.0
[M+NH4]+ 232.133203 164.7
[M+K]+ 253.062538 151.0
[M+H-H2O]+ 197.096640 138.8
[M+HCOO]- 259.097581 171.1
[M+CH3COO]- 273.113231 187.3
[M+Na-2H]- 235.074046 153.6
[M]+ 214.09883142 148.5
[M]- 214.09992858 148.5
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