CID 2097982

2-[(3-methylbenzyl)oxy]benzoic acid

Structural Information

Molecular Formula
C15H14O3
SMILES
CC1=CC(=CC=C1)COC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H14O3/c1-11-5-4-6-12(9-11)10-18-14-8-3-2-7-13(14)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKey
BENLLRCXXCQLTC-UHFFFAOYSA-N
Compound name
2-[(3-methylphenyl)methoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

242.0943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 154.1
[M+Na]+ 265.08352 168.4
[M+NH4]+ 260.12812 162.2
[M+K]+ 281.05746 161.4
[M-H]- 241.08702 157.9
[M+Na-2H]- 263.06897 162.8
[M]+ 242.09375 157.3
[M]- 242.09485 157.3
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