CID 170878

Benzoic acid, 4-methoxy-, 4-propylphenyl ester

Structural Information

Molecular Formula
C17H18O3
SMILES
CCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C17H18O3/c1-3-4-13-5-9-16(10-6-13)20-17(18)14-7-11-15(19-2)12-8-14/h5-12H,3-4H2,1-2H3
InChIKey
YQNHZOBOLKKSLP-UHFFFAOYSA-N
Compound name
(4-propylphenyl) 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

270.12558 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.132856 162.3
[M+Na]+ 293.114798 169.4
[M-H]- 269.118304 169.0
[M+NH4]+ 288.159403 178.6
[M+K]+ 309.088738 166.5
[M+H-H2O]+ 253.122840 154.4
[M+HCOO]- 315.123781 185.5
[M+CH3COO]- 329.139431 198.7
[M+Na-2H]- 291.100246 166.1
[M]+ 270.12503142 166.1
[M]- 270.12612858 166.1
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

patents stripe