CID 214638

7-methoxy-4-oxo-4h-chromene-2-carbonitrile

Structural Information

Molecular Formula
C11H7NO3
SMILES
COC1=CC2=C(C=C1)C(=O)C=C(O2)C#N
InChI
InChI=1S/C11H7NO3/c1-14-7-2-3-9-10(13)4-8(6-12)15-11(9)5-7/h2-5H,1H3
InChIKey
GIFSFCBCSKZISN-UHFFFAOYSA-N
Compound name
7-methoxy-4-oxochromene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

201.04259 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.04987 141.9
[M+Na]+ 224.03181 156.3
[M+NH4]+ 219.07641 147.0
[M+K]+ 240.00575 146.8
[M-H]- 200.03531 138.2
[M+Na-2H]- 222.01726 146.0
[M]+ 201.04204 142.2
[M]- 201.04314 142.2
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