CID 160756

6-formyl-7-methoxycoumarin

Structural Information

Molecular Formula
C11H8O4
SMILES
COC1=C(C=C2C=CC(=O)OC2=C1)C=O
InChI
InChI=1S/C11H8O4/c1-14-9-5-10-7(4-8(9)6-12)2-3-11(13)15-10/h2-6H,1H3
InChIKey
JZYCZVLVWUCHTP-UHFFFAOYSA-N
Compound name
7-methoxy-2-oxochromene-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

63
Patents

204.04225 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04953 136.3
[M+Na]+ 227.03147 147.6
[M-H]- 203.03497 142.7
[M+NH4]+ 222.07607 155.7
[M+K]+ 243.00541 146.6
[M+H-H2O]+ 187.03951 130.4
[M+HCOO]- 249.04045 160.5
[M+CH3COO]- 263.05610 185.0
[M+Na-2H]- 225.01692 145.8
[M]+ 204.04170 142.0
[M]- 204.04280 142.0
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