CID 210085

20924-63-4

Structural Information

Molecular Formula
C13H12O4
SMILES
CCOC(=O)C1=C(C(=O)C2=CC=CC=C2O1)C
InChI
InChI=1S/C13H12O4/c1-3-16-13(15)12-8(2)11(14)9-6-4-5-7-10(9)17-12/h4-7H,3H2,1-2H3
InChIKey
OQATUSWUYAWKPX-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-4-oxochromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

232.07356 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08084 146.3
[M+Na]+ 255.06278 156.5
[M-H]- 231.06628 152.5
[M+NH4]+ 250.10738 164.6
[M+K]+ 271.03672 155.6
[M+H-H2O]+ 215.07082 140.1
[M+HCOO]- 277.07176 168.9
[M+CH3COO]- 291.08741 191.2
[M+Na-2H]- 253.04823 153.4
[M]+ 232.07301 152.0
[M]- 232.07411 152.0
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