CID 198044

Compound 15219

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

CC1=NCC(COC2=CC=CC=C12)O

InChI

InChI=1S/C11H13NO2/c1-8-10-4-2-3-5-11(10)14-7-9(13)6-12-8/h2-5,9,13H,6-7H2,1H3

InChIKey

BGEPNKVWVGTOLC-UHFFFAOYSA-N

Compound name

6-methyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 191.09464 Da
Monoisotopic Mass: 0.7
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]+	192.10192	148.0
[M+Na]+	214.08386	153.5
[M-H]-	190.08736	149.5
[M+NH4]+	209.12846	156.0
[M+K]+	230.05780	153.7
[M+H-H2O]+	174.09190	144.1
[M+HCOO]-	236.09284	156.4
[M+CH3COO]-	250.10849	153.2
[M+Na-2H]-	212.06931	149.8
[M]+	191.09409	147.7
[M]-	191.09519	147.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.