CID 296937

Bicyclo[2.2.2]octan-2-ylmethanamine hydrochloride

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

C1CC2CCC1CC2CN

InChI

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

InChIKey

BJKYXIYHGINFPX-UHFFFAOYSA-N

Compound name

2-bicyclo[2.2.2]octanylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
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]+	140.143376	129.8
[M+Na]+	162.125318	133.2
[M-H]-	138.128824	126.0
[M+NH4]+	157.169923	155.4
[M+K]+	178.099258	131.1
[M+H-H2O]+	122.133360	125.8
[M+HCOO]-	184.134301	142.4
[M+CH3COO]-	198.149951	140.7
[M+Na-2H]-	160.110766	140.5
[M]+	139.13555142	127.3
[M]-	139.13664858	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe