CID 137783

2-methylbut-3-en-2-amine hydrochloride

Structural Information

Molecular Formula

C₅H₁₁N

SMILES

CC(C)(C=C)N

InChI

InChI=1S/C5H11N/c1-4-5(2,3)6/h4H,1,6H2,2-3H3

InChIKey

RBRPAKDHMRWACJ-UHFFFAOYSA-N

Compound name

2-methylbut-3-en-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2801
Patents: 85.08915 Da
Monoisotopic Mass: 0.5
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	117.0
[M+Na]+	108.07837	124.6
[M-H]-	84.081874	117.3
[M+NH4]+	103.12297	140.6
[M+K]+	124.05231	124.1
[M+H-H2O]+	68.086410	113.4
[M+HCOO]-	130.08735	140.2
[M+CH3COO]-	144.10300	167.5
[M+Na-2H]-	106.06382	124.5
[M]+	85.088601	114.9
[M]-	85.089699	114.9

Literature stripe

literature stripe

Patent stripe

patents stripe