CID 118838

35543-25-0

Structural Information

Molecular Formula

C₈H₁₄N₂

SMILES

C1CCN(C1)CCCC#N

InChI

InChI=1S/C8H14N2/c9-5-1-2-6-10-7-3-4-8-10/h1-4,6-8H2

InChIKey

OSDDDHPYSNZBPF-UHFFFAOYSA-N

Compound name

4-pyrrolidin-1-ylbutanenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 138
Patents: 138.11569 Da
Monoisotopic Mass: 0.8
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]+	139.12297	133.2
[M+Na]+	161.10491	142.8
[M+NH4]+	156.14951	138.3
[M+K]+	177.07885	134.9
[M-H]-	137.10841	127.0
[M+Na-2H]-	159.09036	135.4
[M]+	138.11514	131.8
[M]-	138.11624	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe