CID 13383448

5-methoxy-3,4-dihydro-1h-2-benzopyran-1,3-dione

Structural Information

Molecular Formula
C10H8O4
SMILES
COC1=CC=CC2=C1CC(=O)OC2=O
InChI
InChI=1S/C10H8O4/c1-13-8-4-2-3-6-7(8)5-9(11)14-10(6)12/h2-4H,5H2,1H3
InChIKey
TYZOIXJBDMSRPO-UHFFFAOYSA-N
Compound name
5-methoxy-4H-isochromene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

192.04225 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.049526 133.8
[M+Na]+ 215.031468 143.5
[M-H]- 191.034974 139.7
[M+NH4]+ 210.076073 153.5
[M+K]+ 231.005408 143.1
[M+H-H2O]+ 175.039510 128.2
[M+HCOO]- 237.040451 155.5
[M+CH3COO]- 251.056101 182.6
[M+Na-2H]- 213.016916 141.9
[M]+ 192.04170142 136.3
[M]- 192.04279858 136.3
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