CID 12841951

201815-59-0

Structural Information

Molecular Formula

C₇H₁₁N

SMILES

C1C2CC(C1C=C2)N

InChI

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

InChIKey

CYMRDAUUJQRTGL-UHFFFAOYSA-N

Compound name

bicyclo[2.2.1]hept-5-en-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 216
Patents: 109.08915 Da
Monoisotopic Mass: 0.6
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	120.2
[M+Na]+	132.07837	129.3
[M+NH4]+	127.12297	130.7
[M+K]+	148.05231	126.9
[M-H]-	108.08187	121.8
[M+Na-2H]-	130.06382	123.4
[M]+	109.08860	121.7
[M]-	109.08970	121.7

Literature stripe

literature stripe

Patent stripe

patents stripe