CID 12258646

3-amino-4h-chromen-4-one hydrochloride

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1=CC=C2C(=C1)C(=O)C(=CO2)N
InChI
InChI=1S/C9H7NO2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,10H2
InChIKey
KHHXAUPSBBQGKY-UHFFFAOYSA-N
Compound name
3-aminochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

161.04768 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.054956 127.7
[M+Na]+ 184.036898 138.0
[M-H]- 160.040404 133.5
[M+NH4]+ 179.081503 148.2
[M+K]+ 200.010838 136.4
[M+H-H2O]+ 144.044940 122.0
[M+HCOO]- 206.045881 152.4
[M+CH3COO]- 220.061531 178.5
[M+Na-2H]- 182.022346 138.1
[M]+ 161.04713142 128.4
[M]- 161.04822858 128.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe