CID 22840772

Heptadecyl 5-oxo-l-prolinate

Structural Information

Molecular Formula

C₂₂H₄₁NO₃

SMILES

CCCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1

InChI

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

InChIKey

MUQMLVOIALCMNZ-FQEVSTJZSA-N

Compound name

heptadecyl (2S)-5-oxopyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 367.30865 Da
Monoisotopic Mass: 7.9
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	200.0
[M+Na]+	390.297868	200.3
[M-H]-	366.301374	197.7
[M+NH4]+	385.342473	211.9
[M+K]+	406.271808	195.6
[M+H-H2O]+	350.305910	191.5
[M+HCOO]-	412.306851	215.1
[M+CH3COO]-	426.322501	216.6
[M+Na-2H]-	388.283316	194.7
[M]+	367.30810142	203.6
[M]-	367.30919858	203.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe