CID 25090

10242-13-4

Structural Information

Molecular Formula
C11H8O4
SMILES
CC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)O
InChI
InChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)5-8(10(12)13)11(14)15-9/h2-5H,1H3,(H,12,13)
InChIKey
FJICLQQBBFWGMZ-UHFFFAOYSA-N
Compound name
6-methyl-2-oxochromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

34
Patents

204.04225 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04953 138.5
[M+Na]+ 227.03147 152.9
[M+NH4]+ 222.07607 146.4
[M+K]+ 243.00541 147.8
[M-H]- 203.03497 141.4
[M+Na-2H]- 225.01692 144.3
[M]+ 204.04170 141.3
[M]- 204.04280 141.3
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