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

4
Annotation Hits: 16
References: 6887
Patents: 342.3134 Da
Monoisotopic Mass: 6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	343.32068	195.8
[M+Na]+	365.30262	195.9
[M-H]-	341.30612	190.4
[M+NH4]+	360.34722	207.9
[M+K]+	381.27656	191.3
[M+H-H2O]+	325.31066	188.6
[M+HCOO]-	387.31160	211.5
[M+CH3COO]-	401.32725	212.0
[M+Na-2H]-	363.28807	192.6
[M]+	342.31285	201.8
[M]-	342.31395	201.8

Literature stripe

literature stripe

Patent stripe

patents stripe