CID 3047959

63869-48-7

Structural Information

Molecular Formula

C₁₄H₁₉N

SMILES

CC12CCN(C(C1)CC3=CC=CC=C23)C

InChI

InChI=1S/C14H19N/c1-14-7-8-15(2)12(10-14)9-11-5-3-4-6-13(11)14/h3-6,12H,7-10H2,1-2H3

InChIKey

ITHKRTOERRMJFA-UHFFFAOYSA-N

Compound name

1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 201.15175 Da
Monoisotopic Mass: 3.1
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]+	202.15903	147.9
[M+Na]+	224.14097	161.8
[M+NH4]+	219.18557	160.5
[M+K]+	240.11491	150.9
[M-H]-	200.14447	151.2
[M+Na-2H]-	222.12642	154.2
[M]+	201.15120	151.1
[M]-	201.15230	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe