CID 6433022

Einecs 301-507-2

Structural Information

Molecular Formula
C37H64O4
SMILES
CCCCCCCCCC1=CC=CC=C1OCCOCCOC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C37H64O4/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/h14-15,25-26,28-29H,3-13,16-24,27,30-34H2,1-2H3/b15-14-
InChIKey
NFQWKIBNXQKIOA-PFONDFGASA-N
Compound name
2-[2-(2-nonylphenoxy)ethoxy]ethyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.48047 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.48775 259.0
[M+Na]+ 595.46969 255.3
[M-H]- 571.47319 223.8
[M+NH4]+ 590.51429 240.8
[M+K]+ 611.44363 248.1
[M+H-H2O]+ 555.47773 247.4
[M+HCOO]- 617.47867 253.9
[M+CH3COO]- 631.49432 260.4
[M+Na-2H]- 593.45514 250.4
[M]+ 572.47992 240.8
[M]- 572.48102 240.8
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.