CID 81570

1-pyrrolidino-1-cyclopentene

Structural Information

Molecular Formula

C₉H₁₅N

SMILES

C1CCN(C1)C2=CCCC2

InChI

InChI=1S/C9H15N/c1-2-6-9(5-1)10-7-3-4-8-10/h5H,1-4,6-8H2

InChIKey

KOFSFYBXUYHNJL-UHFFFAOYSA-N

Compound name

1-(cyclopenten-1-yl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 820
Patents: 137.12045 Da
Monoisotopic Mass: 2.1
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	131.4
[M+Na]+	160.109668	136.8
[M-H]-	136.113174	136.0
[M+NH4]+	155.154273	154.7
[M+K]+	176.083608	135.6
[M+H-H2O]+	120.117710	124.6
[M+HCOO]-	182.118651	153.3
[M+CH3COO]-	196.134301	144.7
[M+Na-2H]-	158.095116	133.9
[M]+	137.11990142	126.5
[M]-	137.12099858	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe