CID 57117319

1123-31-5

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CNC12CCC(CC1)CC2

InChI

InChI=1S/C9H17N/c1-10-9-5-2-8(3-6-9)4-7-9/h8,10H,2-7H2,1H3

InChIKey

DRTZRHBFJIMXCF-UHFFFAOYSA-N

Compound name

N-methylbicyclo[2.2.2]octan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 139.1361 Da
Monoisotopic Mass: 1.6
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]+	140.14338	130.2
[M+Na]+	162.12532	133.8
[M-H]-	138.12882	126.8
[M+NH4]+	157.16992	157.7
[M+K]+	178.09926	131.7
[M+H-H2O]+	122.13336	125.7
[M+HCOO]-	184.13430	143.3
[M+CH3COO]-	198.14995	141.3
[M+Na-2H]-	160.11077	143.2
[M]+	139.13555	128.5
[M]-	139.13665	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe