CID 107609

4931-68-4

Structural Information

Molecular Formula

C₉H₁₅NO₃

SMILES

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

InChI

InChI=1S/C9H15NO3/c1-2-3-6-13-9(12)7-4-5-8(11)10-7/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1

InChIKey

QBBAJUQOYIURHA-ZETCQYMHSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 195
Patents: 185.1052 Da
Monoisotopic Mass: 0.8
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]+	186.112476	142.0
[M+Na]+	208.094418	147.9
[M-H]-	184.097924	142.2
[M+NH4]+	203.139023	161.4
[M+K]+	224.068358	146.5
[M+H-H2O]+	168.102460	135.9
[M+HCOO]-	230.103401	161.5
[M+CH3COO]-	244.119051	177.8
[M+Na-2H]-	206.079866	143.4
[M]+	185.10465142	140.9
[M]-	185.10574858	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe