CID 16227915

923132-86-9

Structural Information

Molecular Formula
C15H14O3
SMILES
CC1=CC(=CC=C1)COC2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C15H14O3/c1-11-4-2-5-12(8-11)10-18-14-7-3-6-13(9-14)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKey
CPFXBFCQYVWPFP-UHFFFAOYSA-N
Compound name
3-[(3-methylphenyl)methoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 153.1
[M+Na]+ 265.08352 160.6
[M-H]- 241.08702 158.8
[M+NH4]+ 260.12812 169.8
[M+K]+ 281.05746 157.2
[M+H-H2O]+ 225.09156 145.9
[M+HCOO]- 287.09250 175.5
[M+CH3COO]- 301.10815 190.9
[M+Na-2H]- 263.06897 157.6
[M]+ 242.09375 154.4
[M]- 242.09485 154.4
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

No patent data available for this compound.