CID 161455

24520-60-3

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CC(C1CC2CCC1C2)N

InChI

InChI=1S/C9H17N/c1-6(10)9-5-7-2-3-8(9)4-7/h6-9H,2-5,10H2,1H3

InChIKey

LPUCHTNHUHOTRY-UHFFFAOYSA-N

Compound name

1-(2-bicyclo[2.2.1]heptanyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 1117
Patents: 139.1361 Da
Monoisotopic Mass: 2.0
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]+	140.14338	134.2
[M+Na]+	162.12532	139.9
[M-H]-	138.12882	136.3
[M+NH4]+	157.16992	160.4
[M+K]+	178.09926	138.2
[M+H-H2O]+	122.13336	129.8
[M+HCOO]-	184.13430	154.8
[M+CH3COO]-	198.14995	177.7
[M+Na-2H]-	160.11077	136.0
[M]+	139.13555	129.9
[M]-	139.13665	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe