CID 14736418

128372-77-0

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC1CCC(=O)N1C(=O)OC(C)(C)C

InChI

InChI=1S/C10H17NO3/c1-7-5-6-8(12)11(7)9(13)14-10(2,3)4/h7H,5-6H2,1-4H3

InChIKey

XEEYKPKCVNDLCR-UHFFFAOYSA-N

Compound name

tert-butyl 2-methyl-5-oxopyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 199.12085 Da
Monoisotopic Mass: 1.4
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]+	200.12813	144.6
[M+Na]+	222.11007	152.2
[M-H]-	198.11357	147.0
[M+NH4]+	217.15467	164.9
[M+K]+	238.08401	151.9
[M+H-H2O]+	182.11811	139.6
[M+HCOO]-	244.11905	163.9
[M+CH3COO]-	258.13470	183.6
[M+Na-2H]-	220.09552	146.5
[M]+	199.12030	145.6
[M]-	199.12140	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe