CID 12824316

4-methylphenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C15H14O3
SMILES
CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C15H14O3/c1-11-3-7-14(8-4-11)18-15(16)12-5-9-13(17-2)10-6-12/h3-10H,1-2H3
InChIKey
KVQXEDZGNQGJBS-UHFFFAOYSA-N
Compound name
(4-methylphenyl) 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

242.0943 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 153.6
[M+Na]+ 265.08352 168.5
[M+NH4]+ 260.12812 162.1
[M+K]+ 281.05746 161.2
[M-H]- 241.08702 157.9
[M+Na-2H]- 263.06897 162.9
[M]+ 242.09375 157.0
[M]- 242.09485 157.0
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

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