CID 214614

4-oxo-4h-1-benzopyran-2-carboxamide

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)N
InChI
InChI=1S/C10H7NO3/c11-10(13)9-5-7(12)6-3-1-2-4-8(6)14-9/h1-5H,(H2,11,13)
InChIKey
MAKIKFDCXZZVDX-UHFFFAOYSA-N
Compound name
4-oxochromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

121
Patents

189.04259 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.049866 134.8
[M+Na]+ 212.031808 144.6
[M-H]- 188.035314 140.5
[M+NH4]+ 207.076413 153.9
[M+K]+ 228.005748 143.1
[M+H-H2O]+ 172.039850 128.8
[M+HCOO]- 234.040791 158.5
[M+CH3COO]- 248.056441 183.8
[M+Na-2H]- 210.017256 143.4
[M]+ 189.04204142 135.9
[M]- 189.04313858 135.9
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