CID 2756645

Methyl 2-(4-benzyloxyphenyl)acetate

Structural Information

Molecular Formula
C16H16O3
SMILES
COC(=O)CC1=CC=C(C=C1)OCC2=CC=CC=C2
InChI
InChI=1S/C16H16O3/c1-18-16(17)11-13-7-9-15(10-8-13)19-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKey
OUWFDISHMBDYON-UHFFFAOYSA-N
Compound name
methyl 2-(4-phenylmethoxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

309
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

literature stripe

Patent stripe

patents stripe