CID 507221

6,7-dimethyl-4-oxo-4h-chromene-3-carbaldehyde

Structural Information

Molecular Formula
C12H10O3
SMILES
CC1=CC2=C(C=C1C)OC=C(C2=O)C=O
InChI
InChI=1S/C12H10O3/c1-7-3-10-11(4-8(7)2)15-6-9(5-13)12(10)14/h3-6H,1-2H3
InChIKey
XDRXIOAFMFRNOJ-UHFFFAOYSA-N
Compound name
6,7-dimethyl-4-oxochromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

202.06299 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.07027 137.5
[M+Na]+ 225.05221 149.4
[M-H]- 201.05571 144.2
[M+NH4]+ 220.09681 157.4
[M+K]+ 241.02615 147.6
[M+H-H2O]+ 185.06025 131.9
[M+HCOO]- 247.06119 161.2
[M+CH3COO]- 261.07684 187.0
[M+Na-2H]- 223.03766 145.7
[M]+ 202.06244 142.5
[M]- 202.06354 142.5
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