CID 19088120

4-methoxyphenyl 4-propylbenzoate

Structural Information

Molecular Formula
C17H18O3
SMILES
CCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC
InChI
InChI=1S/C17H18O3/c1-3-4-13-5-7-14(8-6-13)17(18)20-16-11-9-15(19-2)10-12-16/h5-12H,3-4H2,1-2H3
InChIKey
BXCOVVDVVWZRDC-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl) 4-propylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.12558 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13286 162.3
[M+Na]+ 293.11480 169.4
[M-H]- 269.11830 169.0
[M+NH4]+ 288.15940 178.6
[M+K]+ 309.08874 166.5
[M+H-H2O]+ 253.12284 154.4
[M+HCOO]- 315.12378 185.5
[M+CH3COO]- 329.13943 198.7
[M+Na-2H]- 291.10025 166.1
[M]+ 270.12503 166.1
[M]- 270.12613 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

No patent data available for this compound.