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]+ 202.049866 139.8
[M+Na]+ 224.031808 153.0
[M-H]- 200.035314 145.0
[M+NH4]+ 219.076413 157.3
[M+K]+ 240.005748 149.7
[M+H-H2O]+ 184.039850 127.4
[M+HCOO]- 246.040791 159.9
[M+CH3COO]- 260.056441 196.7
[M+Na-2H]- 222.017256 148.1
[M]+ 201.04204142 139.0
[M]- 201.04313858 139.0
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