CID 71587463

Laureth-2 ethylhexanoate

Structural Information

Molecular Formula
C24H48O4
SMILES
CCCCCCCCCCCCOCCOCCOC(=O)C(CC)CCCC
InChI
InChI=1S/C24H48O4/c1-4-7-9-10-11-12-13-14-15-16-18-26-19-20-27-21-22-28-24(25)23(6-3)17-8-5-2/h23H,4-22H2,1-3H3
InChIKey
OKYZEUPFLRVNIY-UHFFFAOYSA-N
Compound name
2-(2-dodecoxyethoxy)ethyl 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

400.35526 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.36254 212.2
[M+Na]+ 423.34448 211.7
[M-H]- 399.34798 209.1
[M+NH4]+ 418.38908 216.6
[M+K]+ 439.31842 209.1
[M+H-H2O]+ 383.35252 204.0
[M+HCOO]- 445.35346 224.3
[M+CH3COO]- 459.36911 228.5
[M+Na-2H]- 421.32993 207.3
[M]+ 400.35471 224.1
[M]- 400.35581 224.1
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

patents stripe