CID 13816352

113738-06-0

Structural Information

Molecular Formula

C₁₀H₁₇N

SMILES

C#CCCNC1CCCCC1

InChI

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

InChIKey

DSEPSGZILVVNJJ-UHFFFAOYSA-N

Compound name

N-but-3-ynylcyclohexanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 151.1361 Da
Monoisotopic Mass: 2.2
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]+	152.14338	134.5
[M+Na]+	174.12532	140.8
[M-H]-	150.12882	135.7
[M+NH4]+	169.16992	152.9
[M+K]+	190.09926	137.0
[M+H-H2O]+	134.13336	122.9
[M+HCOO]-	196.13430	150.1
[M+CH3COO]-	210.14995	187.1
[M+Na-2H]-	172.11077	138.9
[M]+	151.13555	124.4
[M]-	151.13665	124.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe