CID 3023197

2-(2-(nonylphenoxy)ethoxy)ethyl stearate

Structural Information

Molecular Formula
C37H66O4
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCOCCOC1=CC=CC=C1CCCCCCCCC
InChI
InChI=1S/C37H66O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-30-37(38)41-34-32-39-31-33-40-36-29-26-25-28-35(36)27-23-21-19-10-8-6-4-2/h25-26,28-29H,3-24,27,30-34H2,1-2H3
InChIKey
UOPBRKAGOWPWKP-UHFFFAOYSA-N
Compound name
2-[2-(2-nonylphenoxy)ethoxy]ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

574.4961 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.50338 260.3
[M+Na]+ 597.48532 256.2
[M-H]- 573.48882 225.3
[M+NH4]+ 592.52992 242.8
[M+K]+ 613.45926 249.7
[M+H-H2O]+ 557.49336 248.6
[M+HCOO]- 619.49430 255.3
[M+CH3COO]- 633.50995 261.6
[M+Na-2H]- 595.47077 251.7
[M]+ 574.49555 243.3
[M]- 574.49665 243.3
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.