CID 104329

52811-80-0

Structural Information

Molecular Formula
C22H26O4
SMILES
CCCCCC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCC
InChI
InChI=1S/C22H26O4/c1-3-5-6-8-21(23)25-19-15-11-18(12-16-19)22(24)26-20-13-9-17(7-4-2)10-14-20/h9-16H,3-8H2,1-2H3
InChIKey
KGYHDKQBNLIFKF-UHFFFAOYSA-N
Compound name
(4-propylphenyl) 4-hexanoyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

354.1831 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.19038 187.1
[M+Na]+ 377.17232 199.6
[M+NH4]+ 372.21692 193.3
[M+K]+ 393.14626 191.9
[M-H]- 353.17582 190.1
[M+Na-2H]- 375.15777 193.5
[M]+ 354.18255 189.6
[M]- 354.18365 189.6
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