CID 69757690

479050-96-9

Structural Information

Molecular Formula

C₂₂H₄₁NO₃

SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O

InChI

InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23-20-18-19-26-22(20)25/h20H,2-19H2,1H3,(H,23,24)/t20-/m0/s1

InChIKey

HGMDJDYXARRSKB-FQEVSTJZSA-N

Compound name

N-[(3S)-2-oxooxolan-3-yl]octadecanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 367.30865 Da
Monoisotopic Mass: 8.0
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	200.8
[M+Na]+	390.297868	200.7
[M-H]-	366.301374	201.9
[M+NH4]+	385.342473	213.2
[M+K]+	406.271808	197.7
[M+H-H2O]+	350.305910	192.7
[M+HCOO]-	412.306851	218.8
[M+CH3COO]-	426.322501	221.7
[M+Na-2H]-	388.283316	197.3
[M]+	367.30810142	205.6
[M]-	367.30919858	205.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe