CID 299810

Methyl 4-(benzyloxy)benzoate

Structural Information

Molecular Formula
C15H14O3
SMILES
COC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2
InChI
InChI=1S/C15H14O3/c1-17-15(16)13-7-9-14(10-8-13)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey
ZLLQTDQOTFCCDF-UHFFFAOYSA-N
Compound name
methyl 4-phenylmethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

250
Patents

242.0943 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 153.5
[M+Na]+ 265.08352 160.5
[M-H]- 241.08702 160.2
[M+NH4]+ 260.12812 170.6
[M+K]+ 281.05746 158.0
[M+H-H2O]+ 225.09156 145.8
[M+HCOO]- 287.09250 177.4
[M+CH3COO]- 301.10815 191.6
[M+Na-2H]- 263.06897 159.1
[M]+ 242.09375 156.1
[M]- 242.09485 156.1
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