CID 13387455

Oleth-2

Structural Information

Molecular Formula
C22H44O3
SMILES
CCCCCCCC/C=C\CCCCCCCCOCCOCCO
InChI
InChI=1S/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h9-10,23H,2-8,11-22H2,1H3/b10-9-
InChIKey
MGYUQZIGNZFZJS-KTKRTIGZSA-N
Compound name
2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4690
Patents

356.32904 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.33632 198.7
[M+Na]+ 379.31826 199.1
[M-H]- 355.32176 194.5
[M+NH4]+ 374.36286 211.1
[M+K]+ 395.29220 194.6
[M+H-H2O]+ 339.32630 191.0
[M+HCOO]- 401.32724 216.6
[M+CH3COO]- 415.34289 216.8
[M+Na-2H]- 377.30371 196.9
[M]+ 356.32849 207.8
[M]- 356.32959 207.8
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