CID 522058

5,7-dimethyl-4-oxo-4h-chromene-3-carbaldehyde

Structural Information

Molecular Formula
C12H10O3
SMILES
CC1=CC(=C2C(=C1)OC=C(C2=O)C=O)C
InChI
InChI=1S/C12H10O3/c1-7-3-8(2)11-10(4-7)15-6-9(5-13)12(11)14/h3-6H,1-2H3
InChIKey
MVKCOCQJKGTQAM-UHFFFAOYSA-N
Compound name
5,7-dimethyl-4-oxochromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

202.06299 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.070266 137.5
[M+Na]+ 225.052208 149.4
[M-H]- 201.055714 144.2
[M+NH4]+ 220.096813 157.4
[M+K]+ 241.026148 147.6
[M+H-H2O]+ 185.060250 131.9
[M+HCOO]- 247.061191 161.2
[M+CH3COO]- 261.076841 187.0
[M+Na-2H]- 223.037656 145.7
[M]+ 202.06244142 142.5
[M]- 202.06353858 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