CID 106590

1-cyclohexyl-2,5-dihydro-1h-pyrrole

Structural Information

Molecular Formula

C₁₀H₁₇N

SMILES

C1CCC(CC1)N2CC=CC2

InChI

InChI=1S/C10H17N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h4-5,10H,1-3,6-9H2

InChIKey

MKLOLLWXCNJJKG-UHFFFAOYSA-N

Compound name

1-cyclohexyl-2,5-dihydropyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 151.1361 Da
Monoisotopic Mass: 2.3
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]+	152.14338	136.2
[M+Na]+	174.12532	147.1
[M+NH4]+	169.16992	146.2
[M+K]+	190.09926	141.5
[M-H]-	150.12882	140.0
[M+Na-2H]-	172.11077	142.9
[M]+	151.13555	138.7
[M]-	151.13665	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe