CID 43154993

916486-99-2

Structural Information

Molecular Formula
C10H8O4
SMILES
C1COC2=CC3=C(C=C2C1=O)OCO3
InChI
InChI=1S/C10H8O4/c11-7-1-2-12-8-4-10-9(3-6(7)8)13-5-14-10/h3-4H,1-2,5H2
InChIKey
MPRCZKCGOXIDOM-UHFFFAOYSA-N
Compound name
6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

192.04225 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 133.6
[M+Na]+ 215.03147 142.6
[M-H]- 191.03497 141.0
[M+NH4]+ 210.07607 153.0
[M+K]+ 231.00541 143.9
[M+H-H2O]+ 175.03951 129.1
[M+HCOO]- 237.04045 152.2
[M+CH3COO]- 251.05610 148.1
[M+Na-2H]- 213.01692 143.0
[M]+ 192.04170 135.6
[M]- 192.04280 135.6
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