CID 14919832

4-methylpent-1-yn-3-amine hydrochloride

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

CC(C)C(C#C)N

InChI

InChI=1S/C6H11N/c1-4-6(7)5(2)3/h1,5-6H,7H2,2-3H3

InChIKey

IGJJBZHFJDQVAV-UHFFFAOYSA-N

Compound name

4-methylpent-1-yn-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 97.08915 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]+	98.096426	122.5
[M+Na]+	120.07837	130.9
[M-H]-	96.081874	122.0
[M+NH4]+	115.12297	142.9
[M+K]+	136.05231	130.0
[M+H-H2O]+	80.086410	112.2
[M+HCOO]-	142.08735	139.3
[M+CH3COO]-	156.10300	180.5
[M+Na-2H]-	118.06382	125.7
[M]+	97.088601	115.0
[M]-	97.089699	115.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe