CID 56278

3-glyoxyloylcoumarin

Structural Information

Molecular Formula
C11H6O4
SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)C=O
InChI
InChI=1S/C11H6O4/c12-6-9(13)8-5-7-3-1-2-4-10(7)15-11(8)14/h1-6H
InChIKey
HGVHQIKVXUMASV-UHFFFAOYSA-N
Compound name
2-oxo-2-(2-oxochromen-3-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

202.02661 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.033886 135.5
[M+Na]+ 225.015828 145.8
[M-H]- 201.019334 141.6
[M+NH4]+ 220.060433 154.5
[M+K]+ 240.989768 144.6
[M+H-H2O]+ 185.023870 129.5
[M+HCOO]- 247.024811 158.9
[M+CH3COO]- 261.040461 183.8
[M+Na-2H]- 223.001276 144.4
[M]+ 202.02606142 139.4
[M]- 202.02715858 139.4
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