CID 5196842

3-cyano-6-ethylchromone

Structural Information

Molecular Formula
C12H9NO2
SMILES
CCC1=CC2=C(C=C1)OC=C(C2=O)C#N
InChI
InChI=1S/C12H9NO2/c1-2-8-3-4-11-10(5-8)12(14)9(6-13)7-15-11/h3-5,7H,2H2,1H3
InChIKey
GRYXAOXVOYEENX-UHFFFAOYSA-N
Compound name
6-ethyl-4-oxochromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

199.06332 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07060 141.6
[M+Na]+ 222.05254 154.6
[M-H]- 198.05604 146.7
[M+NH4]+ 217.09714 159.3
[M+K]+ 238.02648 150.4
[M+H-H2O]+ 182.06058 129.3
[M+HCOO]- 244.06152 161.2
[M+CH3COO]- 258.07717 197.5
[M+Na-2H]- 220.03799 149.4
[M]+ 199.06277 139.8
[M]- 199.06387 139.8
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