CID 21192690

2913279-38-4

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

CCC(CC#C)N

InChI

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

InChIKey

QRSKOUFDYNFCNV-UHFFFAOYSA-N

Compound name

hex-5-yn-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
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	121.2
[M+Na]+	120.07837	129.8
[M-H]-	96.081874	120.6
[M+NH4]+	115.12297	141.7
[M+K]+	136.05231	128.6
[M+H-H2O]+	80.086410	110.9
[M+HCOO]-	142.08735	138.9
[M+CH3COO]-	156.10300	179.7
[M+Na-2H]-	118.06382	125.7
[M]+	97.088601	114.4
[M]-	97.089699	114.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe