CID 21786

Cypenamine

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

C1CC(C(C1)N)C2=CC=CC=C2

InChI

InChI=1S/C11H15N/c12-11-8-4-7-10(11)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,12H2

InChIKey

VNGYTYNUZHDMPP-UHFFFAOYSA-N

Compound name

2-phenylcyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 516
Patents: 161.12045 Da
Monoisotopic Mass: 1.9
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]+	162.127726	134.9
[M+Na]+	184.109668	140.9
[M-H]-	160.113174	140.9
[M+NH4]+	179.154273	156.8
[M+K]+	200.083608	137.8
[M+H-H2O]+	144.117710	128.6
[M+HCOO]-	206.118651	158.7
[M+CH3COO]-	220.134301	178.9
[M+Na-2H]-	182.095116	138.8
[M]+	161.11990142	129.5
[M]-	161.12099858	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe