CID 42631473

Pisonin e

Structural Information

Molecular Formula
C11H8O5
SMILES
CC1=CC(=O)C2=C(C3=C(C=C2O1)OCO3)O
InChI
InChI=1S/C11H8O5/c1-5-2-6(12)9-7(16-5)3-8-11(10(9)13)15-4-14-8/h2-3,13H,4H2,1H3
InChIKey
KTEVFEONFQOVDW-UHFFFAOYSA-N
Compound name
9-hydroxy-6-methyl-[1,3]dioxolo[4,5-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

220.03717 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.044446 140.1
[M+Na]+ 243.026388 152.0
[M-H]- 219.029894 147.7
[M+NH4]+ 238.070993 158.5
[M+K]+ 259.000328 152.6
[M+H-H2O]+ 203.034430 135.9
[M+HCOO]- 265.035371 159.9
[M+CH3COO]- 279.051021 155.2
[M+Na-2H]- 241.011836 149.2
[M]+ 220.03662142 146.0
[M]- 220.03771858 146.0
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