CID 20222870

90949-06-7

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

C1CC2CC1CC2CCN

InChI

InChI=1S/C9H17N/c10-4-3-9-6-7-1-2-8(9)5-7/h7-9H,1-6,10H2

InChIKey

HVBXSUGKPOUETE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 139.1361 Da
Monoisotopic Mass: 2.1
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	132.9
[M+Na]+	162.12532	138.9
[M-H]-	138.12882	134.9
[M+NH4]+	157.16992	159.2
[M+K]+	178.09926	136.8
[M+H-H2O]+	122.13336	128.4
[M+HCOO]-	184.13430	154.6
[M+CH3COO]-	198.14995	176.8
[M+Na-2H]-	160.11077	136.0
[M]+	139.13555	129.3
[M]-	139.13665	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe