CID 12462027

3-methylbut-3-en-1-amine hydrochloride

Structural Information

Molecular Formula

C₅H₁₁N

SMILES

CC(=C)CCN

InChI

InChI=1S/C5H11N/c1-5(2)3-4-6/h1,3-4,6H2,2H3

InChIKey

NJTBJCGFHPFCQL-UHFFFAOYSA-N

Compound name

3-methylbut-3-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 207
Patents: 85.08915 Da
Monoisotopic Mass: 1.0
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	117.8
[M+Na]+	108.07837	124.7
[M-H]-	84.081874	117.9
[M+NH4]+	103.12297	141.3
[M+K]+	124.05231	124.3
[M+H-H2O]+	68.086410	113.6
[M+HCOO]-	130.08735	141.5
[M+CH3COO]-	144.10300	168.1
[M+Na-2H]-	106.06382	123.4
[M]+	85.088601	115.5
[M]-	85.089699	115.5

Literature stripe

literature stripe

Patent stripe

patents stripe