CID 22349973

6-cyano-4-chromanone

Structural Information

Molecular Formula
C10H7NO2
SMILES
C1COC2=C(C1=O)C=CC(=C2)C#N
InChI
InChI=1S/C10H7NO2/c11-6-7-1-2-8-9(12)3-4-13-10(8)5-7/h1-2,5H,3-4H2
InChIKey
XLPCNXPFUOBSES-UHFFFAOYSA-N
Compound name
4-oxo-2,3-dihydrochromene-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

173.04768 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05496 138.5
[M+Na]+ 196.03690 151.6
[M+NH4]+ 191.08150 144.2
[M+K]+ 212.01084 141.9
[M-H]- 172.04040 134.9
[M+Na-2H]- 194.02235 141.8
[M]+ 173.04713 138.6
[M]- 173.04823 138.6
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

patents stripe