CID 4926787

Dtxsid201256028

Structural Information

Molecular Formula
C22H26O6
SMILES
COC1=CC=C(C=C1)C(=O)OCCCCCCOC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C22H26O6/c1-25-19-11-7-17(8-12-19)21(23)27-15-5-3-4-6-16-28-22(24)18-9-13-20(26-2)14-10-18/h7-14H,3-6,15-16H2,1-2H3
InChIKey
ZALQHEOANJAMNQ-UHFFFAOYSA-N
Compound name
6-(4-methoxybenzoyl)oxyhexyl 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

386.17294 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18022 193.1
[M+Na]+ 409.16216 197.4
[M-H]- 385.16566 198.8
[M+NH4]+ 404.20676 204.1
[M+K]+ 425.13610 195.4
[M+H-H2O]+ 369.17020 183.5
[M+HCOO]- 431.17114 214.3
[M+CH3COO]- 445.18679 219.1
[M+Na-2H]- 407.14761 193.2
[M]+ 386.17239 201.4
[M]- 386.17349 201.4
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