CID 3023297

2-(2-(nonylphenoxy)ethoxy)ethyl palmitate

Structural Information

Molecular Formula
C35H62O4
SMILES
CCCCCCCCCCCCCCCC(=O)OCCOCCOC1=CC=CC=C1CCCCCCCCC
InChI
InChI=1S/C35H62O4/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-28-35(36)39-32-30-37-29-31-38-34-27-24-23-26-33(34)25-21-19-17-10-8-6-4-2/h23-24,26-27H,3-22,25,28-32H2,1-2H3
InChIKey
KBZILBKIQHLSTK-UHFFFAOYSA-N
Compound name
2-[2-(2-nonylphenoxy)ethoxy]ethyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.4648 Da
Monoisotopic Mass

13.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.47208 252.0
[M+Na]+ 569.45402 248.8
[M-H]- 545.45752 250.5
[M+NH4]+ 564.49862 235.8
[M+K]+ 585.42796 242.6
[M+H-H2O]+ 529.46206 240.7
[M+HCOO]- 591.46300 249.0
[M+CH3COO]- 605.47865 256.0
[M+Na-2H]- 567.43947 244.4
[M]+ 546.46425 265.8
[M]- 546.46535 265.8
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.