CID 214621

4h-1-benzopyran-2-carboxamide, 7-methyl-4-oxo-

Structural Information

Molecular Formula
C11H9NO3
SMILES
CC1=CC2=C(C=C1)C(=O)C=C(O2)C(=O)N
InChI
InChI=1S/C11H9NO3/c1-6-2-3-7-8(13)5-10(11(12)14)15-9(7)4-6/h2-5H,1H3,(H2,12,14)
InChIKey
BPJQHSNHLHNXRM-UHFFFAOYSA-N
Compound name
7-methyl-4-oxochromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

203.05824 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 139.5
[M+Na]+ 226.047458 149.8
[M-H]- 202.050964 145.4
[M+NH4]+ 221.092063 158.3
[M+K]+ 242.021398 148.2
[M+H-H2O]+ 186.055500 133.5
[M+HCOO]- 248.056441 162.9
[M+CH3COO]- 262.072091 188.1
[M+Na-2H]- 224.032906 146.8
[M]+ 203.05769142 141.4
[M]- 203.05878858 141.4
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