CID 59460993

916304-06-8

Structural Information

Molecular Formula

C₁₀H₁₉NO

SMILES

C1CC2(CCC1(CC2)CN)CO

InChI

InChI=1S/C10H19NO/c11-7-9-1-4-10(8-12,5-2-9)6-3-9/h12H,1-8,11H2

InChIKey

CTYZLJOKCWVRGE-UHFFFAOYSA-N

Compound name

[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 169.14667 Da
Monoisotopic Mass: 0.5
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]+	170.153946	141.0
[M+Na]+	192.135888	145.1
[M-H]-	168.139394	135.9
[M+NH4]+	187.180493	168.4
[M+K]+	208.109828	142.0
[M+H-H2O]+	152.143930	136.8
[M+HCOO]-	214.144871	151.7
[M+CH3COO]-	228.160521	151.0
[M+Na-2H]-	190.121336	153.0
[M]+	169.14612142	138.9
[M]-	169.14721858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe