CID 98186

2-(benzylamino)norbornane

Structural Information

Molecular Formula

C₁₄H₁₉N

SMILES

C1CC2CC1CC2NCC3=CC=CC=C3

InChI

InChI=1S/C14H19N/c1-2-4-11(5-3-1)10-15-14-9-12-6-7-13(14)8-12/h1-5,12-15H,6-10H2

InChIKey

DOMDOUHZPYAOCT-UHFFFAOYSA-N

Compound name

N-benzylbicyclo[2.2.1]heptan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 5
Patents: 201.15175 Da
Monoisotopic Mass: 3.0
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]+	202.15903	146.2
[M+Na]+	224.14097	151.4
[M-H]-	200.14447	151.8
[M+NH4]+	219.18557	170.0
[M+K]+	240.11491	147.6
[M+H-H2O]+	184.14901	140.2
[M+HCOO]-	246.14995	168.6
[M+CH3COO]-	260.16560	158.7
[M+Na-2H]-	222.12642	149.8
[M]+	201.15120	143.0
[M]-	201.15230	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe