CID 87099724

5274-66-8

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
3
Annotation Hits

0
References

1621
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

literature stripe

Patent stripe

patents stripe