CID 688705

3-cyano-6-methylchromone

Structural Information

Molecular Formula
C11H7NO2
SMILES
CC1=CC2=C(C=C1)OC=C(C2=O)C#N
InChI
InChI=1S/C11H7NO2/c1-7-2-3-10-9(4-7)11(13)8(5-12)6-14-10/h2-4,6H,1H3
InChIKey
FNRLRLMPBIRUSQ-UHFFFAOYSA-N
Compound name
6-methyl-4-oxochromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

185.04768 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.054956 137.4
[M+Na]+ 208.036898 150.8
[M-H]- 184.040404 142.7
[M+NH4]+ 203.081503 155.6
[M+K]+ 224.010838 146.9
[M+H-H2O]+ 168.044940 125.3
[M+HCOO]- 230.045881 157.4
[M+CH3COO]- 244.061531 194.8
[M+Na-2H]- 206.022346 145.7
[M]+ 185.04713142 135.3
[M]- 185.04822858 135.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe