CID 101090

Myreth-3 myristate

Structural Information

Molecular Formula
C34H68O5
SMILES
CCCCCCCCCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C34H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-36-28-29-37-30-31-38-32-33-39-34(35)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3
InChIKey
NNSTUHMKYNCMHO-UHFFFAOYSA-N
Compound name
2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

296
Patents

556.50665 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.51393 253.9
[M+Na]+ 579.49587 258.0
[M-H]- 555.49937 236.8
[M+NH4]+ 574.54047 254.6
[M+K]+ 595.46981 258.1
[M+H-H2O]+ 539.50391 254.1
[M+HCOO]- 601.50485 261.9
[M+CH3COO]- 615.52050 257.9
[M+Na-2H]- 577.48132 237.2
[M]+ 556.50610 254.7
[M]- 556.50720 254.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe