CID 87099724

2-[2-[2-[[(z)-9-octadecenyl]oxy]ethoxy]ethoxy]ethanol

Structural Information

Molecular Formula
C24H48O4
SMILES
CCCCCCCC/C=C\CCCCCCCCOCCOCCOCCO
InChI
InChI=1S/C24H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-21-23-28-24-22-27-20-18-25/h9-10,25H,2-8,11-24H2,1H3/b10-9-
InChIKey
KGULFLCOPRYBEV-KTKRTIGZSA-N
Compound name
2-[2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1587
Patents

400.35526 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.36254 209.7
[M+Na]+ 423.34448 209.1
[M-H]- 399.34798 205.0
[M+NH4]+ 418.38908 211.4
[M+K]+ 439.31842 204.7
[M+H-H2O]+ 383.35252 201.4
[M+HCOO]- 445.35346 227.5
[M+CH3COO]- 459.36911 224.5
[M+Na-2H]- 421.32993 206.9
[M]+ 400.35471 220.9
[M]- 400.35581 220.9
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.