CID 201623

9-methoxyjulolidine

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

COC1=CC2=C3C(=C1)CCCN3CCC2

InChI

InChI=1S/C13H17NO/c1-15-12-8-10-4-2-6-14-7-3-5-11(9-12)13(10)14/h8-9H,2-7H2,1H3

InChIKey

XFGXXDZMUXGJKA-UHFFFAOYSA-N

Compound name

7-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.13101 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]+	204.138286	144.9
[M+Na]+	226.120228	150.9
[M-H]-	202.123734	147.2
[M+NH4]+	221.164833	164.8
[M+K]+	242.094168	147.7
[M+H-H2O]+	186.128270	137.3
[M+HCOO]-	248.129211	160.9
[M+CH3COO]-	262.144861	156.4
[M+Na-2H]-	224.105676	152.1
[M]+	203.13046142	142.3
[M]-	203.13155858	142.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.