CID 735928

2-aminochromone-3-carboxaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

9
References

82
Patents

189.04259 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.049866 134.3
[M+Na]+ 212.031808 145.3
[M-H]- 188.035314 140.3
[M+NH4]+ 207.076413 153.8
[M+K]+ 228.005748 143.4
[M+H-H2O]+ 172.039850 128.4
[M+HCOO]- 234.040791 159.0
[M+CH3COO]- 248.056441 184.1
[M+Na-2H]- 210.017256 143.4
[M]+ 189.04204142 136.5
[M]- 189.04313858 136.5
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