CID 137935272

2253639-43-7

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CC(C12CCC(C1)CC2)N

InChI

InChI=1S/C9H17N/c1-7(10)9-4-2-8(6-9)3-5-9/h7-8H,2-6,10H2,1H3

InChIKey

QCSSIIWILLHOHY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 139.1361 Da
Monoisotopic Mass: 1.8
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	134.4
[M+Na]+	162.12532	140.2
[M-H]-	138.12882	136.5
[M+NH4]+	157.16992	162.3
[M+K]+	178.09926	138.4
[M+H-H2O]+	122.13336	130.3
[M+HCOO]-	184.13430	155.0
[M+CH3COO]-	198.14995	176.1
[M+Na-2H]-	160.11077	137.9
[M]+	139.13555	130.0
[M]-	139.13665	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe