CID 65573985

1-cyclohexylprop-2-yn-1-amine

Structural Information

Molecular Formula

C₉H₁₅N

SMILES

C#CC(C1CCCCC1)N

InChI

InChI=1S/C9H15N/c1-2-9(10)8-6-4-3-5-7-8/h1,8-9H,3-7,10H2

InChIKey

XIEIQEFDSYPLQZ-UHFFFAOYSA-N

Compound name

1-cyclohexylprop-2-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 137.12045 Da
Monoisotopic Mass: 1.8
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]+	138.12773	135.0
[M+Na]+	160.10967	144.5
[M+NH4]+	155.15427	140.5
[M+K]+	176.08361	135.5
[M-H]-	136.11317	129.5
[M+Na-2H]-	158.09512	137.0
[M]+	137.11990	133.8
[M]-	137.12100	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe