CID 73557100

Dodecanoic acid, (1-methylethylidene)bis(4,1-phenyleneoxy-2,1-ethanediyloxy-2,1-ethanediyl) ester

Structural Information

Molecular Formula
C47H76O8
SMILES
CCCCCCCCCCCC(=O)OCCOCCOC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCCOCCOC(=O)CCCCCCCCCCC
InChI
InChI=1S/C47H76O8/c1-5-7-9-11-13-15-17-19-21-23-45(48)54-39-35-50-33-37-52-43-29-25-41(26-30-43)47(3,4)42-27-31-44(32-28-42)53-38-34-51-36-40-55-46(49)24-22-20-18-16-14-12-10-8-6-2/h25-32H,5-24,33-40H2,1-4H3
InChIKey
RBVFLLRHOSVNTL-UHFFFAOYSA-N
Compound name
2-[2-[4-[2-[4-[2-(2-dodecanoyloxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

768.554 Da
Monoisotopic Mass

14.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 769.56128 260.0
[M+Na]+ 791.54322 266.5
[M-H]- 767.54672 249.0
[M+NH4]+ 786.58782 267.7
[M+K]+ 807.51716 265.8
[M+H-H2O]+ 751.55126 262.2
[M+HCOO]- 813.55220 274.9
[M+CH3COO]- 827.56785 292.7
[M+Na-2H]- 789.52867 244.2
[M]+ 768.55345 263.7
[M]- 768.55455 263.7
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.