CID 19866065

2-(heptadecenyl)-2-oxazoline-4,4-dimethanol

Structural Information

Molecular Formula

C₂₂H₄₁NO₃

SMILES

CCCCCCCCCCCCCCC/C=C/C1=NC(CO1)(CO)CO

InChI

InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-22(18-24,19-25)20-26-21/h16-17,24-25H,2-15,18-20H2,1H3/b17-16+

InChIKey

XOIFQOFMUVENJH-WUKNDPDISA-N

Compound name

[2-[(E)-heptadec-1-enyl]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 11
Patents: 367.30865 Da
Monoisotopic Mass: 6.6
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]+	368.315926	197.4
[M+Na]+	390.297868	199.2
[M-H]-	366.301374	195.0
[M+NH4]+	385.342473	209.6
[M+K]+	406.271808	194.8
[M+H-H2O]+	350.305910	190.1
[M+HCOO]-	412.306851	212.4
[M+CH3COO]-	426.322501	213.2
[M+Na-2H]-	388.283316	196.1
[M]+	367.30810142	202.8
[M]-	367.30919858	202.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe