CID 54690216

6-amino-4-hydroxy-2h-chromen-2-one

Structural Information

Molecular Formula
C9H7NO3
SMILES
C1=CC2=C(C=C1N)C(=CC(=O)O2)O
InChI
InChI=1S/C9H7NO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H,10H2
InChIKey
DCCSZWSQRFLEIA-UHFFFAOYSA-N
Compound name
6-amino-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

177.04259 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04987 131.4
[M+Na]+ 200.03181 142.2
[M-H]- 176.03531 136.2
[M+NH4]+ 195.07641 150.8
[M+K]+ 216.00575 140.2
[M+H-H2O]+ 160.03985 125.9
[M+HCOO]- 222.04079 154.8
[M+CH3COO]- 236.05644 179.5
[M+Na-2H]- 198.01726 140.6
[M]+ 177.04204 132.1
[M]- 177.04314 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