CID 18782861

5561-74-0

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

C1CC2(CCC1CC2)CN

InChI

InChI=1S/C9H17N/c10-7-9-4-1-8(2-5-9)3-6-9/h8H,1-7,10H2

InChIKey

SXJZKPHDCMYQGN-UHFFFAOYSA-N

Compound name

1-bicyclo[2.2.2]octanylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 139.1361 Da
Monoisotopic Mass: 1.9
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	131.3
[M+Na]+	162.125318	134.9
[M-H]-	138.128824	127.4
[M+NH4]+	157.169923	158.6
[M+K]+	178.099258	132.5
[M+H-H2O]+	122.133360	126.9
[M+HCOO]-	184.134301	143.8
[M+CH3COO]-	198.149951	142.1
[M+Na-2H]-	160.110766	143.3
[M]+	139.13555142	128.6
[M]-	139.13664858	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe