CID 42441

5-methoxy-2h-1-benzopyran-3-carbonitrile

Structural Information

Molecular Formula
C11H9NO2
SMILES
COC1=CC=CC2=C1C=C(CO2)C#N
InChI
InChI=1S/C11H9NO2/c1-13-10-3-2-4-11-9(10)5-8(6-12)7-14-11/h2-5H,7H2,1H3
InChIKey
KSVQCKSTIKMJNF-UHFFFAOYSA-N
Compound name
5-methoxy-2H-chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

187.06332 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 137.3
[M+Na]+ 210.05254 148.8
[M-H]- 186.05604 141.9
[M+NH4]+ 205.09714 155.2
[M+K]+ 226.02648 145.4
[M+H-H2O]+ 170.06058 125.0
[M+HCOO]- 232.06152 155.9
[M+CH3COO]- 246.07717 194.7
[M+Na-2H]- 208.03799 145.6
[M]+ 187.06277 134.3
[M]- 187.06387 134.3
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