CID 4172276

4439-32-1

Structural Information

Molecular Formula
C24H50O4
SMILES
CCCCCCCCCCCCCCCCCCOCCOCCOCCO
InChI
InChI=1S/C24H50O4/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/h25H,2-24H2,1H3
InChIKey
KPRFGGDCSHOVQB-UHFFFAOYSA-N
Compound name
2-[2-(2-octadecoxyethoxy)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

194
Patents

402.3709 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.378176 211.0
[M+Na]+ 425.360118 210.1
[M-H]- 401.363624 206.2
[M+NH4]+ 420.404723 213.6
[M+K]+ 441.334058 206.2
[M+H-H2O]+ 385.368160 202.6
[M+HCOO]- 447.369101 229.2
[M+CH3COO]- 461.384751 225.9
[M+Na-2H]- 423.345566 208.2
[M]+ 402.37035142 223.0
[M]- 402.37144858 223.0
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