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]+ 234.07608 147.5
[M+Na]+ 256.05802 157.2
[M-H]- 232.06152 153.1
[M+NH4]+ 251.10262 165.0
[M+K]+ 272.03196 156.0
[M+H-H2O]+ 216.06606 140.9
[M+HCOO]- 278.06700 170.6
[M+CH3COO]- 292.08265 192.7
[M+Na-2H]- 254.04347 154.3
[M]+ 233.06825 151.0
[M]- 233.06935 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