CID 5282282

Selachyl alcohol

Structural Information

Molecular Formula
C21H42O3
SMILES
CCCCCCCC/C=C\CCCCCCCCOCC(CO)O
InChI
InChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h9-10,21-23H,2-8,11-20H2,1H3/b10-9-
InChIKey
NRWMBHYHFFGEEC-KTKRTIGZSA-N
Compound name
3-[(Z)-octadec-9-enoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

6550
Patents

342.3134 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.32068 193.5
[M+Na]+ 365.30262 199.2
[M+NH4]+ 360.34722 197.5
[M+K]+ 381.27656 191.5
[M-H]- 341.30612 190.4
[M+Na-2H]- 363.28807 191.6
[M]+ 342.31285 192.9
[M]- 342.31395 192.9
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