CID 12510992

2-(pyrrolidin-1-yl)butanenitrile

Structural Information

Molecular Formula

C₈H₁₄N₂

SMILES

CCC(C#N)N1CCCC1

InChI

InChI=1S/C8H14N2/c1-2-8(7-9)10-5-3-4-6-10/h8H,2-6H2,1H3

InChIKey

GIZMBLLDGLCEQX-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-ylbutanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 138.11569 Da
Monoisotopic Mass: 1.5
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]+	139.122966	129.7
[M+Na]+	161.104908	137.3
[M-H]-	137.108414	130.9
[M+NH4]+	156.149513	149.3
[M+K]+	177.078848	135.4
[M+H-H2O]+	121.112950	116.5
[M+HCOO]-	183.113891	146.7
[M+CH3COO]-	197.129541	187.0
[M+Na-2H]-	159.090356	133.0
[M]+	138.11514142	122.2
[M]-	138.11623858	122.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe