CID 42440

6-methoxy-2h-chromene-3-carbonitrile

Structural Information

Molecular Formula
C11H9NO2
SMILES
COC1=CC2=C(C=C1)OCC(=C2)C#N
InChI
InChI=1S/C11H9NO2/c1-13-10-2-3-11-9(5-10)4-8(6-12)7-14-11/h2-5H,7H2,1H3
InChIKey
QFFAZOPNBVZSGX-UHFFFAOYSA-N
Compound name
6-methoxy-2H-chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

187.06332 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.070596 137.3
[M+Na]+ 210.052538 148.8
[M-H]- 186.056044 141.9
[M+NH4]+ 205.097143 155.2
[M+K]+ 226.026478 145.4
[M+H-H2O]+ 170.060580 125.0
[M+HCOO]- 232.061521 155.9
[M+CH3COO]- 246.077171 194.7
[M+Na-2H]- 208.037986 145.6
[M]+ 187.06277142 134.3
[M]- 187.06386858 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