CID 533854

Pent-4-enylamine

Structural Information

Molecular Formula

C₅H₁₁N

SMILES

C=CCCCN

InChI

InChI=1S/C5H11N/c1-2-3-4-5-6/h2H,1,3-6H2

InChIKey

UVBBCQLPTZEDHT-UHFFFAOYSA-N

Compound name

pent-4-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2541
Patents: 85.08915 Da
Monoisotopic Mass: 0.7
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]+	86.096426	117.1
[M+Na]+	108.07837	124.2
[M-H]-	84.081874	117.1
[M+NH4]+	103.12297	140.6
[M+K]+	124.05231	123.3
[M+H-H2O]+	68.086410	112.8
[M+HCOO]-	130.08735	141.8
[M+CH3COO]-	144.10300	167.3
[M+Na-2H]-	106.06382	124.0
[M]+	85.088601	115.5
[M]-	85.089699	115.5

Literature stripe

literature stripe

Patent stripe

patents stripe