CID 51668

Brn 0238044

Structural Information

Molecular Formula
C12H11NO4
SMILES
CCOC(=O)C1=CC2=C(C=C(C=C2)N)OC1=O
InChI
InChI=1S/C12H11NO4/c1-2-16-11(14)9-5-7-3-4-8(13)6-10(7)17-12(9)15/h3-6H,2,13H2,1H3
InChIKey
HBTIKNFRYMQNGT-UHFFFAOYSA-N
Compound name
ethyl 7-amino-2-oxochromene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

233.0688 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.076076 147.5
[M+Na]+ 256.058018 157.2
[M-H]- 232.061524 153.1
[M+NH4]+ 251.102623 165.0
[M+K]+ 272.031958 156.0
[M+H-H2O]+ 216.066060 140.9
[M+HCOO]- 278.067001 170.6
[M+CH3COO]- 292.082651 192.7
[M+Na-2H]- 254.043466 154.3
[M]+ 233.06825142 151.0
[M]- 233.06934858 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe