CID 53422650

31573-45-2

Structural Information

Molecular Formula

C₁₆H₂₅N

SMILES

CC1=CC2=NC(=C1)CCCCCCCCCC2

InChI

InChI=1S/C16H25N/c1-14-12-15-10-8-6-4-2-3-5-7-9-11-16(13-14)17-15/h12-13H,2-11H2,1H3

InChIKey

OUKMHRRHBQEKDE-UHFFFAOYSA-N

Compound name

14-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.1987 Da
Monoisotopic Mass: 5.5
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]+	232.205976	154.7
[M+Na]+	254.187918	158.3
[M-H]-	230.191424	153.2
[M+NH4]+	249.232523	169.9
[M+K]+	270.161858	155.7
[M+H-H2O]+	214.195960	150.6
[M+HCOO]-	276.196901	169.2
[M+CH3COO]-	290.212551	163.8
[M+Na-2H]-	252.173366	158.8
[M]+	231.19815142	146.0
[M]-	231.19924858	146.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.