CID 6438074

Einecs 252-703-9

Structural Information

Molecular Formula

C₁₈H₃₅NO₂

SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)N)O

InChI

InChI=1S/C18H35NO2/c1-2-3-4-11-14-17(20)15-12-9-7-5-6-8-10-13-16-18(19)21/h9,12,17,20H,2-8,10-11,13-16H2,1H3,(H2,19,21)/b12-9+

InChIKey

VSKRSEHLMRRKOS-FMIVXFBMSA-N

Compound name

(E)-12-hydroxyoctadec-9-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2233
Patents: 297.26678 Da
Monoisotopic Mass: 5.1
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]+	298.27406	182.7
[M+Na]+	320.25600	183.8
[M-H]-	296.25950	178.9
[M+NH4]+	315.30060	196.7
[M+K]+	336.22994	179.8
[M+H-H2O]+	280.26404	175.8
[M+HCOO]-	342.26498	200.3
[M+CH3COO]-	356.28063	208.1
[M+Na-2H]-	318.24145	179.4
[M]+	297.26623	184.8
[M]-	297.26733	184.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe