CID 3042088

59081-64-0

Structural Information

Molecular Formula

C₁₄H₁₉N

SMILES

CN1CCC2CC(C1)CC3=CC=CC=C23

InChI

InChI=1S/C14H19N/c1-15-7-6-13-9-11(10-15)8-12-4-2-3-5-14(12)13/h2-5,11,13H,6-10H2,1H3

InChIKey

HAFOCRMCQBVAMT-UHFFFAOYSA-N

Compound name

11-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 201.15175 Da
Monoisotopic Mass: 2.8
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]+	202.15903	143.1
[M+Na]+	224.14097	154.5
[M+NH4]+	219.18557	153.1
[M+K]+	240.11491	147.8
[M-H]-	200.14447	145.9
[M+Na-2H]-	222.12642	148.0
[M]+	201.15120	145.6
[M]-	201.15230	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe