CID 13400858

2253631-62-6

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

CC(CC#C)NC

InChI

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

InChIKey

URJXDWOPIDOYLR-UHFFFAOYSA-N

Compound name

N-methylpent-4-yn-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 156
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	120.4
[M+Na]+	120.07837	128.9
[M-H]-	96.081874	120.2
[M+NH4]+	115.12297	141.1
[M+K]+	136.05231	128.0
[M+H-H2O]+	80.086410	110.0
[M+HCOO]-	142.08735	138.6
[M+CH3COO]-	156.10300	180.4
[M+Na-2H]-	118.06382	125.9
[M]+	97.088601	114.4
[M]-	97.089699	114.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe