CID 47256

64059-49-0

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CC1C2CCC(C2)CN1C

InChI

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

InChIKey

UEEYLGDMBFXUIB-UHFFFAOYSA-N

Compound name

2,3-dimethyl-3-azabicyclo[3.2.1]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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	131.9
[M+Na]+	162.12532	138.8
[M-H]-	138.12882	133.0
[M+NH4]+	157.16992	156.1
[M+K]+	178.09926	137.0
[M+H-H2O]+	122.13336	126.6
[M+HCOO]-	184.13430	149.8
[M+CH3COO]-	198.14995	176.4
[M+Na-2H]-	160.11077	136.2
[M]+	139.13555	128.7
[M]-	139.13665	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe