CID 225489

Methyl 4-(benzyloxy)-2-hydroxybenzoate

Structural Information

Molecular Formula
C15H14O4
SMILES
COC(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)O
InChI
InChI=1S/C15H14O4/c1-18-15(17)13-8-7-12(9-14(13)16)19-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
InChIKey
PHYPTZODBQEMJU-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-4-phenylmethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

225
Patents

258.0892 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 156.5
[M+Na]+ 281.07842 163.8
[M-H]- 257.08192 162.2
[M+NH4]+ 276.12302 172.5
[M+K]+ 297.05236 161.2
[M+H-H2O]+ 241.08646 149.0
[M+HCOO]- 303.08740 179.1
[M+CH3COO]- 317.10305 192.4
[M+Na-2H]- 279.06387 160.9
[M]+ 258.08865 159.1
[M]- 258.08975 159.1
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