CID 165606217

2792201-53-5

Structural Information

Molecular Formula

C₉H₁₅N

SMILES

CC1(CCC(C1)(C#C)N)C

InChI

InChI=1S/C9H15N/c1-4-9(10)6-5-8(2,3)7-9/h1H,5-7,10H2,2-3H3

InChIKey

KECBASTXYMMELL-UHFFFAOYSA-N

Compound name

1-ethynyl-3,3-dimethylcyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 137.12045 Da
Monoisotopic Mass: 1.3
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	126.9
[M+Na]+	160.10967	136.3
[M+NH4]+	155.15427	134.8
[M+K]+	176.08361	126.2
[M-H]-	136.11317	120.9
[M+Na-2H]-	158.09512	131.4
[M]+	137.11990	125.9
[M]-	137.12100	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.