CID 7599

4-methoxybenzyl phenylacetate

Structural Information

Molecular Formula
C16H16O3
SMILES
COC1=CC=C(C=C1)COC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C16H16O3/c1-18-15-9-7-14(8-10-15)12-19-16(17)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKey
VCYWCSZLXMMLLE-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)methyl 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

340
Patents

256.10995 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.117226 158.2
[M+Na]+ 279.099168 164.8
[M-H]- 255.102674 164.7
[M+NH4]+ 274.143773 174.7
[M+K]+ 295.073108 162.0
[M+H-H2O]+ 239.107210 150.3
[M+HCOO]- 301.108151 181.8
[M+CH3COO]- 315.123801 194.6
[M+Na-2H]- 277.084616 163.2
[M]+ 256.10940142 161.2
[M]- 256.11049858 161.2
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