CID 12761487

Methyl 2,2-dimethyl-3-oxopyrrolidine-1-carboxylate

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

CC1(C(=O)CCN1C(=O)OC)C

InChI

InChI=1S/C8H13NO3/c1-8(2)6(10)4-5-9(8)7(11)12-3/h4-5H2,1-3H3

InChIKey

NPFDVDIFQFIDOW-UHFFFAOYSA-N

Compound name

methyl 2,2-dimethyl-3-oxopyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 171.08954 Da
Monoisotopic Mass: 0.3
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]+	172.096816	133.6
[M+Na]+	194.078758	142.5
[M-H]-	170.082264	136.4
[M+NH4]+	189.123363	156.9
[M+K]+	210.052698	142.5
[M+H-H2O]+	154.086800	129.2
[M+HCOO]-	216.087741	155.2
[M+CH3COO]-	230.103391	177.4
[M+Na-2H]-	192.064206	137.1
[M]+	171.08899142	134.8
[M]-	171.09008858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe