CID 12934390

7-hydroxy-4-methyl-2-oxo-2h-1-benzopyran-8-carboxaldehyde

Structural Information

Molecular Formula
C11H8O4
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2C=O)O
InChI
InChI=1S/C11H8O4/c1-6-4-10(14)15-11-7(6)2-3-9(13)8(11)5-12/h2-5,13H,1H3
InChIKey
RTHHSXOVIJWFQP-UHFFFAOYSA-N
Compound name
7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

78
Patents

204.04225 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.049526 136.7
[M+Na]+ 227.031468 148.5
[M-H]- 203.034974 142.1
[M+NH4]+ 222.076073 155.7
[M+K]+ 243.005408 146.6
[M+H-H2O]+ 187.039510 131.3
[M+HCOO]- 249.040451 159.4
[M+CH3COO]- 263.056101 183.7
[M+Na-2H]- 225.016916 145.0
[M]+ 204.04170142 141.0
[M]- 204.04279858 141.0
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