CID 5466580

Pent-3-en-1-amine hydrochloride

Structural Information

Molecular Formula

C₅H₁₁N

SMILES

C/C=C/CCN

InChI

InChI=1S/C5H11N/c1-2-3-4-5-6/h2-3H,4-6H2,1H3/b3-2+

InChIKey

VWJYDONMXDIHNY-NSCUHMNNSA-N

Compound name

(E)-pent-3-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 221
Patents: 85.08915 Da
Monoisotopic Mass: 0.6
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	117.4
[M+Na]+	108.07837	124.5
[M-H]-	84.081874	117.3
[M+NH4]+	103.12297	140.9
[M+K]+	124.05231	123.7
[M+H-H2O]+	68.086410	113.1
[M+HCOO]-	130.08735	142.1
[M+CH3COO]-	144.10300	166.6
[M+Na-2H]-	106.06382	124.2
[M]+	85.088601	115.6
[M]-	85.089699	115.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe