CID 93451

3-aminopentanenitrile

Structural Information

Molecular Formula

C₅H₁₀N₂

SMILES

CCC(CC#N)N

InChI

InChI=1S/C5H10N2/c1-2-5(7)3-4-6/h5H,2-3,7H2,1H3

InChIKey

FVPPLRDSFQDFLX-UHFFFAOYSA-N

Compound name

3-aminopentanenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 222
Patents: 98.0844 Da
Monoisotopic Mass: -0.1
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]+	99.091676	122.1
[M+Na]+	121.07362	131.4
[M+NH4]+	116.11822	127.0
[M+K]+	137.04756	123.4
[M-H]-	97.077124	115.4
[M+Na-2H]-	119.05907	123.9
[M]+	98.083851	120.5
[M]-	98.084949	120.5

Literature stripe

literature stripe

Patent stripe

patents stripe