CID 54679250

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

Structural Information

Molecular Formula
C9H7NO3
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)O2)N)O
InChI
InChI=1S/C9H7NO3/c10-7-8(11)5-3-1-2-4-6(5)13-9(7)12/h1-4,11H,10H2
InChIKey
RGHXNKMQAQJWPM-UHFFFAOYSA-N
Compound name
3-amino-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

28
Patents

177.04259 Da
Monoisotopic Mass

0.3
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

literature stripe

Patent stripe

patents stripe