CID 1810581

2-benzyloxybenzoic acid

Structural Information

Molecular Formula
C14H12O3
SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H12O3/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
InChIKey
GMOYUTKNPLBTMT-UHFFFAOYSA-N
Compound name
2-phenylmethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5149
Patents

228.07864 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08592 150.0
[M+Na]+ 251.06786 164.1
[M+NH4]+ 246.11246 158.3
[M+K]+ 267.04180 157.1
[M-H]- 227.07136 153.8
[M+Na-2H]- 249.05331 159.2
[M]+ 228.07809 153.1
[M]- 228.07919 153.1
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