CID 137942926

2287343-49-9

Structural Information

Molecular Formula

C₁₀H₁₉NO

SMILES

COC12CCCC(C1)CC(C2)N

InChI

InChI=1S/C10H19NO/c1-12-10-4-2-3-8(6-10)5-9(11)7-10/h8-9H,2-7,11H2,1H3

InChIKey

WLGJDGJPKCTEHH-UHFFFAOYSA-N

Compound name

1-methoxybicyclo[3.3.1]nonan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.14667 Da
Monoisotopic Mass: 1.2
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	138.2
[M+Na]+	192.135888	142.9
[M-H]-	168.139394	139.7
[M+NH4]+	187.180493	161.6
[M+K]+	208.109828	141.1
[M+H-H2O]+	152.143930	133.1
[M+HCOO]-	214.144871	155.4
[M+CH3COO]-	228.160521	181.6
[M+Na-2H]-	190.121336	144.7
[M]+	169.14612142	132.3
[M]-	169.14721858	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.