CID 14171936

(but-3-en-2-yl)(methyl)amine hydrochloride

Structural Information

Molecular Formula

C₅H₁₁N

SMILES

CC(C=C)NC

InChI

InChI=1S/C5H11N/c1-4-5(2)6-3/h4-6H,1H2,2-3H3

InChIKey

PMGNVDPARHYFIN-UHFFFAOYSA-N

Compound name

N-methylbut-3-en-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 85.08915 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]+	86.096426	117.3
[M+Na]+	108.078368	124.1
[M-H]-	84.081874	117.9
[M+NH4]+	103.122973	141.0
[M+K]+	124.052308	124.1
[M+H-H2O]+	68.086410	113.0
[M+HCOO]-	130.087351	141.6
[M+CH3COO]-	144.103001	168.8
[M+Na-2H]-	106.063816	123.9
[M]+	85.08860142	116.0
[M]-	85.08969858	116.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe