CID 247182

95-10-3

Structural Information

Molecular Formula

C₈H₁₃N

SMILES

C1C2CC(C1C=C2)CN

InChI

InChI=1S/C8H13N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5,9H2

InChIKey

XLBALIGLOMYEKN-UHFFFAOYSA-N

Compound name

2-bicyclo[2.2.1]hept-5-enylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 542
Patents: 123.1048 Da
Monoisotopic Mass: 1.0
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]+	124.112076	126.2
[M+Na]+	146.094018	133.7
[M-H]-	122.097524	128.8
[M+NH4]+	141.138623	153.3
[M+K]+	162.067958	131.6
[M+H-H2O]+	106.102060	121.9
[M+HCOO]-	168.103001	149.7
[M+CH3COO]-	182.118651	173.4
[M+Na-2H]-	144.079466	130.9
[M]+	123.10425142	123.7
[M]-	123.10534858	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe