CID 73240403

2-cyclohexylbut-3-yn-2-amine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₇N

SMILES

CC(C#C)(C1CCCCC1)N

InChI

InChI=1S/C10H17N/c1-3-10(2,11)9-7-5-4-6-8-9/h1,9H,4-8,11H2,2H3

InChIKey

SJJNPQDNGAJWNU-UHFFFAOYSA-N

Compound name

2-cyclohexylbut-3-yn-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 151.1361 Da
Monoisotopic Mass: 2.0
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]+	152.143376	138.8
[M+Na]+	174.125318	145.4
[M-H]-	150.128824	139.9
[M+NH4]+	169.169923	157.0
[M+K]+	190.099258	141.8
[M+H-H2O]+	134.133360	127.8
[M+HCOO]-	196.134301	152.3
[M+CH3COO]-	210.149951	186.7
[M+Na-2H]-	172.110766	142.4
[M]+	151.13555142	127.3
[M]-	151.13664858	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe