CID 83905647

2248348-64-1

Structural Information

Molecular Formula

C₁₁H₂₁N

SMILES

CNCC1CCCCC12CCC2

InChI

InChI=1S/C11H21N/c1-12-9-10-5-2-3-6-11(10)7-4-8-11/h10,12H,2-9H2,1H3

InChIKey

CNIQUEUSHGDZKC-UHFFFAOYSA-N

Compound name

N-methyl-1-spiro[3.5]nonan-9-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 167.1674 Da
Monoisotopic Mass: 3.3
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]+	168.174676	137.1
[M+Na]+	190.156618	139.9
[M-H]-	166.160124	141.7
[M+NH4]+	185.201223	153.0
[M+K]+	206.130558	141.1
[M+H-H2O]+	150.164660	126.7
[M+HCOO]-	212.165601	156.0
[M+CH3COO]-	226.181251	184.7
[M+Na-2H]-	188.142066	142.9
[M]+	167.16685142	139.6
[M]-	167.16794858	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.