CID 820807

4-aminocoumarin

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1=CC=C2C(=C1)C(=CC(=O)O2)N
InChI
InChI=1S/C9H7NO2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H,10H2
InChIKey
AHZAKFLOHIRCDU-UHFFFAOYSA-N
Compound name
4-aminochromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

93
Patents

161.04768 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05496 128.3
[M+Na]+ 184.03690 143.1
[M+NH4]+ 179.08150 137.8
[M+K]+ 200.01084 136.7
[M-H]- 160.04040 133.3
[M+Na-2H]- 182.02235 136.1
[M]+ 161.04713 131.9
[M]- 161.04823 131.9
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