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

74
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 152.8
[M+Na]+ 265.08352 160.8
[M-H]- 241.08702 160.0
[M+NH4]+ 260.12812 170.3
[M+K]+ 281.05746 158.4
[M+H-H2O]+ 225.09156 145.4
[M+HCOO]- 287.09250 176.8
[M+CH3COO]- 301.10815 192.8
[M+Na-2H]- 263.06897 157.8
[M]+ 242.09375 156.0
[M]- 242.09485 156.0
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

patents stripe