CID 214630

4h-1-benzopyran-2-carbonitrile, 5,7-dimethyl-4-oxo-

Structural Information

Molecular Formula
C12H9NO2
SMILES
CC1=CC(=C2C(=C1)OC(=CC2=O)C#N)C
InChI
InChI=1S/C12H9NO2/c1-7-3-8(2)12-10(14)5-9(6-13)15-11(12)4-7/h3-5H,1-2H3
InChIKey
ANHIBHUMQOZDDS-UHFFFAOYSA-N
Compound name
5,7-dimethyl-4-oxochromene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

199.06332 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07060 142.0
[M+Na]+ 222.05254 157.0
[M+NH4]+ 217.09714 147.5
[M+K]+ 238.02648 147.0
[M-H]- 198.05604 138.9
[M+Na-2H]- 220.03799 146.2
[M]+ 199.06277 142.6
[M]- 199.06387 142.6
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

No patent data available for this compound.