CID 19438058

Refchem:465176

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

C=CCC(C#N)N

InChI

InChI=1S/C5H8N2/c1-2-3-5(7)4-6/h2,5H,1,3,7H2

InChIKey

PZOYNGHQZPLBKL-UHFFFAOYSA-N

Compound name

2-aminopent-4-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 96.06875 Da
Monoisotopic Mass: 0.2
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]+	97.076026	120.4
[M+Na]+	119.05797	128.9
[M-H]-	95.061474	120.9
[M+NH4]+	114.10257	140.9
[M+K]+	135.03191	128.3
[M+H-H2O]+	79.066010	109.4
[M+HCOO]-	141.06695	140.5
[M+CH3COO]-	155.08260	182.9
[M+Na-2H]-	117.04342	125.7
[M]+	96.068201	113.4
[M]-	96.069299	113.4

Literature stripe

literature stripe

Patent stripe

patents stripe