CID 2794246

Octahydro-2,5-methanopentalen-3a-amine

Structural Information

Molecular Formula

C₉H₁₅N

SMILES

C1C2CC3CC1CC3(C2)N

InChI

InChI=1S/C9H15N/c10-9-4-6-1-7(5-9)3-8(9)2-6/h6-8H,1-5,10H2

InChIKey

NGGRFWRIBLQVEP-UHFFFAOYSA-N

Compound name

tricyclo[3.3.1.03,7]nonan-3-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 215
Patents: 137.12045 Da
Monoisotopic Mass: 1.2
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	129.5
[M+Na]+	160.109668	134.8
[M-H]-	136.113174	127.2
[M+NH4]+	155.154273	161.1
[M+K]+	176.083608	131.5
[M+H-H2O]+	120.117710	125.9
[M+HCOO]-	182.118651	143.5
[M+CH3COO]-	196.134301	141.5
[M+Na-2H]-	158.095116	138.0
[M]+	137.11990142	129.1
[M]-	137.12099858	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe