CID 104175

52368-50-0

Structural Information

Molecular Formula
C29H50O4
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOC(=O)CCCCCCCCC
InChI
InChI=1S/C29H50O4/c1-3-5-7-9-11-13-15-17-27-19-21-28(22-20-27)32-25-23-31-24-26-33-29(30)18-16-14-12-10-8-6-4-2/h19-22H,3-18,23-26H2,1-2H3
InChIKey
LZOSODJFIGUVBG-UHFFFAOYSA-N
Compound name
2-[2-(4-nonylphenoxy)ethoxy]ethyl decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.3709 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.37818 226.3
[M+Na]+ 485.36012 225.7
[M-H]- 461.36362 226.2
[M+NH4]+ 480.40472 234.6
[M+K]+ 501.33406 221.0
[M+H-H2O]+ 445.36816 216.2
[M+HCOO]- 507.36910 244.0
[M+CH3COO]- 521.38475 238.9
[M+Na-2H]- 483.34557 221.8
[M]+ 462.37035 238.1
[M]- 462.37145 238.1
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.