CID 22292227

Bicyclo[2.2.1]hept-2-en-1-amine

Structural Information

Molecular Formula

C₇H₁₁N

SMILES

C1CC2(CC1C=C2)N

InChI

InChI=1S/C7H11N/c8-7-3-1-6(5-7)2-4-7/h1,3,6H,2,4-5,8H2

InChIKey

AYWZMOHWFNTOCH-UHFFFAOYSA-N

Compound name

bicyclo[2.2.1]hept-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 185
Patents: 109.08915 Da
Monoisotopic Mass: 0.5
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]+	110.09643	121.2
[M+Na]+	132.07837	130.0
[M+NH4]+	127.12297	133.1
[M+K]+	148.05231	125.7
[M-H]-	108.08187	122.7
[M+Na-2H]-	130.06382	126.0
[M]+	109.08860	122.8
[M]-	109.08970	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe