CID 11629811

6-methyl-2h,8h-[1,3]dioxolo[4,5-g]chromen-8-one

Structural Information

Molecular Formula
C11H8O4
SMILES
CC1=CC(=O)C2=CC3=C(C=C2O1)OCO3
InChI
InChI=1S/C11H8O4/c1-6-2-8(12)7-3-10-11(14-5-13-10)4-9(7)15-6/h2-4H,5H2,1H3
InChIKey
XDFAYZOINRRSMW-UHFFFAOYSA-N
Compound name
6-methyl-[1,3]dioxolo[4,5-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

204.04225 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.049526 136.5
[M+Na]+ 227.031468 148.2
[M-H]- 203.034974 145.1
[M+NH4]+ 222.076073 156.1
[M+K]+ 243.005408 149.0
[M+H-H2O]+ 187.039510 132.1
[M+HCOO]- 249.040451 157.7
[M+CH3COO]- 263.056101 152.1
[M+Na-2H]- 225.016916 146.6
[M]+ 204.04170142 142.2
[M]- 204.04279858 142.2
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