CID 1827584

N-(prop-2-yn-1-yl)cyclohexanamine

Structural Information

Molecular Formula

C₉H₁₅N

SMILES

C#CCNC1CCCCC1

InChI

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

InChIKey

PDZCAXWOOIGGAM-UHFFFAOYSA-N

Compound name

N-prop-2-ynylcyclohexanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 55
Patents: 137.12045 Da
Monoisotopic Mass: 1.7
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]+	138.127726	130.6
[M+Na]+	160.109668	137.3
[M-H]-	136.113174	132.0
[M+NH4]+	155.154273	149.5
[M+K]+	176.083608	133.8
[M+H-H2O]+	120.117710	119.2
[M+HCOO]-	182.118651	146.5
[M+CH3COO]-	196.134301	184.4
[M+Na-2H]-	158.095116	135.5
[M]+	137.11990142	120.2
[M]-	137.12099858	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe