CID 12364467

3-amino-8-hydroxy-2h-chromen-2-one

Structural Information

Molecular Formula
C9H7NO3
SMILES
C1=CC2=C(C(=C1)O)OC(=O)C(=C2)N
InChI
InChI=1S/C9H7NO3/c10-6-4-5-2-1-3-7(11)8(5)13-9(6)12/h1-4,11H,10H2
InChIKey
QLJLXCYYMGVSCL-UHFFFAOYSA-N
Compound name
3-amino-8-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

177.04259 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.049866 131.4
[M+Na]+ 200.031808 142.2
[M-H]- 176.035314 136.2
[M+NH4]+ 195.076413 150.8
[M+K]+ 216.005748 140.2
[M+H-H2O]+ 160.039850 125.9
[M+HCOO]- 222.040791 154.8
[M+CH3COO]- 236.056441 179.5
[M+Na-2H]- 198.017256 140.6
[M]+ 177.04204142 132.1
[M]- 177.04313858 132.1
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

patents stripe