CID 214625

4h-1-benzopyran-2-carboxamide, 8-methyl-4-oxo-

Structural Information

Molecular Formula
C11H9NO3
SMILES
CC1=C2C(=CC=C1)C(=O)C=C(O2)C(=O)N
InChI
InChI=1S/C11H9NO3/c1-6-3-2-4-7-8(13)5-9(11(12)14)15-10(6)7/h2-5H,1H3,(H2,12,14)
InChIKey
YAHVDMFRYJHLEN-UHFFFAOYSA-N
Compound name
8-methyl-4-oxochromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

203.05824 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 139.5
[M+Na]+ 226.04746 149.8
[M-H]- 202.05096 145.4
[M+NH4]+ 221.09206 158.3
[M+K]+ 242.02140 148.2
[M+H-H2O]+ 186.05550 133.5
[M+HCOO]- 248.05644 162.9
[M+CH3COO]- 262.07209 188.1
[M+Na-2H]- 224.03291 146.8
[M]+ 203.05769 141.4
[M]- 203.05879 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