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

78
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 133.3
[M+Na]+ 196.03690 144.6
[M-H]- 172.04040 137.9
[M+NH4]+ 191.08150 151.6
[M+K]+ 212.01084 140.9
[M+H-H2O]+ 156.04494 121.4
[M+HCOO]- 218.04588 151.1
[M+CH3COO]- 232.06153 191.5
[M+Na-2H]- 194.02235 141.3
[M]+ 173.04713 128.1
[M]- 173.04823 128.1
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