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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.