CID 22840774

Hexyl 5-oxo-l-prolinate

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

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

InChI

InChI=1S/C11H19NO3/c1-2-3-4-5-8-15-11(14)9-6-7-10(13)12-9/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1

InChIKey

IHPADOUYLWBQEN-VIFPVBQESA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 213.13649 Da
Monoisotopic Mass: 1.9
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]+	214.143766	151.1
[M+Na]+	236.125708	156.2
[M-H]-	212.129214	151.0
[M+NH4]+	231.170313	169.4
[M+K]+	252.099648	154.3
[M+H-H2O]+	196.133750	144.7
[M+HCOO]-	258.134691	170.0
[M+CH3COO]-	272.150341	183.8
[M+Na-2H]-	234.111156	151.5
[M]+	213.13594142	150.7
[M]-	213.13703858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe