CID 87268923

Isolaureth-3

Structural Information

Molecular Formula
C18H38O4
SMILES
CC(C)CC(C)CC(CC(C)C)OCCOCCOCCO
InChI
InChI=1S/C18H38O4/c1-15(2)12-17(5)14-18(13-16(3)4)22-11-10-21-9-8-20-7-6-19/h15-19H,6-14H2,1-5H3
InChIKey
PLFJWWUZKJKIPZ-UHFFFAOYSA-N
Compound name
2-[2-[2-(2,6,8-trimethylnonan-4-yloxy)ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2687
Patents

318.277 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.28428 188.0
[M+Na]+ 341.26622 188.8
[M-H]- 317.26972 184.8
[M+NH4]+ 336.31082 201.6
[M+K]+ 357.24016 188.5
[M+H-H2O]+ 301.27426 181.2
[M+HCOO]- 363.27520 203.3
[M+CH3COO]- 377.29085 211.6
[M+Na-2H]- 339.25167 183.1
[M]+ 318.27645 195.1
[M]- 318.27755 195.1
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