CID 688709

3-formyl-6-methylchromone

Structural Information

Molecular Formula
C11H8O3
SMILES
CC1=CC2=C(C=C1)OC=C(C2=O)C=O
InChI
InChI=1S/C11H8O3/c1-7-2-3-10-9(4-7)11(13)8(5-12)6-14-10/h2-6H,1H3
InChIKey
GBWMIOYSMWCYIZ-UHFFFAOYSA-N
Compound name
6-methyl-4-oxochromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

146
Patents

188.04735 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.054626 133.2
[M+Na]+ 211.036568 144.6
[M-H]- 187.040074 139.6
[M+NH4]+ 206.081173 153.4
[M+K]+ 227.010508 143.0
[M+H-H2O]+ 171.044610 127.5
[M+HCOO]- 233.045551 157.2
[M+CH3COO]- 247.061201 182.8
[M+Na-2H]- 209.022016 142.6
[M]+ 188.04680142 137.4
[M]- 188.04789858 137.4
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