CID 29057

18398-73-7

Structural Information

Molecular Formula
C11H8O4
SMILES
COC(=O)C1=CC(=O)C2=CC=CC=C2O1
InChI
InChI=1S/C11H8O4/c1-14-11(13)10-6-8(12)7-4-2-3-5-9(7)15-10/h2-6H,1H3
InChIKey
WNVKMIHNAHIVDP-UHFFFAOYSA-N
Compound name
methyl 4-oxochromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

204.04225 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04953 137.1
[M+Na]+ 227.03147 147.3
[M-H]- 203.03497 143.2
[M+NH4]+ 222.07607 156.2
[M+K]+ 243.00541 146.7
[M+H-H2O]+ 187.03951 131.1
[M+HCOO]- 249.04045 160.3
[M+CH3COO]- 263.05610 184.0
[M+Na-2H]- 225.01692 146.0
[M]+ 204.04170 141.7
[M]- 204.04280 141.7
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