CID 3083597

Ayapin

Structural Information

Molecular Formula
C10H6O4
SMILES
C1OC2=C(O1)C=C3C(=C2)C=CC(=O)O3
InChI
InChI=1S/C10H6O4/c11-10-2-1-6-3-8-9(13-5-12-8)4-7(6)14-10/h1-4H,5H2
InChIKey
MLQTZXHZYMNZJE-UHFFFAOYSA-N
Compound name
[1,3]dioxolo[4,5-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

75
Patents

190.02661 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03389 131.2
[M+Na]+ 213.01583 142.4
[M-H]- 189.01933 139.6
[M+NH4]+ 208.06043 151.1
[M+K]+ 228.98977 143.5
[M+H-H2O]+ 173.02387 126.8
[M+HCOO]- 235.02481 152.8
[M+CH3COO]- 249.04046 147.0
[M+Na-2H]- 211.00128 142.5
[M]+ 190.02606 136.2
[M]- 190.02716 136.2
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