CID 198668

Einecs 292-692-8

Structural Information

Molecular Formula

C₁₇H₃₄N₂

SMILES

CCCCN1CC2CN(CC(C1)C2(C)C)CCCC

InChI

InChI=1S/C17H34N2/c1-5-7-9-18-11-15-13-19(10-8-6-2)14-16(12-18)17(15,3)4/h15-16H,5-14H2,1-4H3

InChIKey

MUQFLLKQSNNHIW-UHFFFAOYSA-N

Compound name

3,7-dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 266.2722 Da
Monoisotopic Mass: 4.1
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]+	267.27948	171.6
[M+Na]+	289.26142	176.0
[M-H]-	265.26492	170.0
[M+NH4]+	284.30602	189.6
[M+K]+	305.23536	172.3
[M+H-H2O]+	249.26946	163.9
[M+HCOO]-	311.27040	183.1
[M+CH3COO]-	325.28605	204.1
[M+Na-2H]-	287.24687	173.4
[M]+	266.27165	170.2
[M]-	266.27275	170.2

Literature stripe

literature stripe

Patent stripe

patents stripe