CID 91618631

1462287-25-7

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

C1CC1C2(CCNC2=O)C#N

InChI

InChI=1S/C8H10N2O/c9-5-8(6-1-2-6)3-4-10-7(8)11/h6H,1-4H2,(H,10,11)

InChIKey

BRLOYDKKQPQELI-UHFFFAOYSA-N

Compound name

3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 150.07932 Da
Monoisotopic Mass: 0.5
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]+	151.08660	129.9
[M+Na]+	173.06854	145.4
[M-H]-	149.07204	136.0
[M+NH4]+	168.11314	147.7
[M+K]+	189.04248	138.3
[M+H-H2O]+	133.07658	120.7
[M+HCOO]-	195.07752	148.8
[M+CH3COO]-	209.09317	187.2
[M+Na-2H]-	171.05399	136.3
[M]+	150.07877	125.9
[M]-	150.07987	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe