CID 26365911

681247-26-7

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

CC(C)(C#N)C(=O)N1CCCC1

InChI

InChI=1S/C9H14N2O/c1-9(2,7-10)8(12)11-5-3-4-6-11/h3-6H2,1-2H3

InChIKey

DTDZOHAJINLELT-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 166.11061 Da
Monoisotopic Mass: 1.0
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]+	167.117886	139.6
[M+Na]+	189.099828	147.4
[M-H]-	165.103334	141.0
[M+NH4]+	184.144433	158.2
[M+K]+	205.073768	145.7
[M+H-H2O]+	149.107870	126.9
[M+HCOO]-	211.108811	155.3
[M+CH3COO]-	225.124461	190.2
[M+Na-2H]-	187.085276	142.7
[M]+	166.11006142	132.4
[M]-	166.11115858	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe