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: 16
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	129.1
[M+Na]+	162.12532	138.6
[M+NH4]+	157.16992	142.5
[M+K]+	178.09926	129.0
[M-H]-	138.12882	128.9
[M+Na-2H]-	160.11077	130.0
[M]+	139.13555	130.4
[M]-	139.13665	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe