CID 214638

33544-14-8

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 139.8
[M+Na]+ 224.03181 153.0
[M-H]- 200.03531 145.0
[M+NH4]+ 219.07641 157.3
[M+K]+ 240.00575 149.7
[M+H-H2O]+ 184.03985 127.4
[M+HCOO]- 246.04079 159.9
[M+CH3COO]- 260.05644 196.7
[M+Na-2H]- 222.01726 148.1
[M]+ 201.04204 139.0
[M]- 201.04314 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