CID 121207024

2098115-32-1

Structural Information

Molecular Formula

C₉H₁₅N

SMILES

C#CC1CCC(CC1)CN

InChI

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

InChIKey

NRGJUOSDPZRBDA-UHFFFAOYSA-N

Compound name

(4-ethynylcyclohexyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 137.12045 Da
Monoisotopic Mass: 1.5
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	133.6
[M+Na]+	160.10967	143.6
[M+NH4]+	155.15427	139.1
[M+K]+	176.08361	134.2
[M-H]-	136.11317	128.2
[M+Na-2H]-	158.09512	135.7
[M]+	137.11990	132.5
[M]-	137.12100	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.