CID 264312

62324-90-7

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

COC1=CC2=C(C=C1)C3=C(CC2)C=NO3

InChI

InChI=1S/C12H11NO2/c1-14-10-4-5-11-8(6-10)2-3-9-7-13-15-12(9)11/h4-7H,2-3H2,1H3

InChIKey

ABJNFGKXRLXHAJ-UHFFFAOYSA-N

Compound name

7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 201.07898 Da
Monoisotopic Mass: 2.3
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]+	202.08626	140.0
[M+Na]+	224.06820	149.8
[M-H]-	200.07170	145.1
[M+NH4]+	219.11280	160.7
[M+K]+	240.04214	147.8
[M+H-H2O]+	184.07624	133.5
[M+HCOO]-	246.07718	160.9
[M+CH3COO]-	260.09283	154.0
[M+Na-2H]-	222.05365	148.4
[M]+	201.07843	142.6
[M]-	201.07953	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe