CID 214618

4h-1-benzopyran-2-carbonitrile, 6-methyl-4-oxo-

Structural Information

Molecular Formula
C11H7NO2
SMILES
CC1=CC2=C(C=C1)OC(=CC2=O)C#N
InChI
InChI=1S/C11H7NO2/c1-7-2-3-11-9(4-7)10(13)5-8(6-12)14-11/h2-5H,1H3
InChIKey
DYWHBTJZSVUMDI-UHFFFAOYSA-N
Compound name
6-methyl-4-oxochromene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.04768 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05496 137.4
[M+Na]+ 208.03690 150.8
[M-H]- 184.04040 142.7
[M+NH4]+ 203.08150 155.6
[M+K]+ 224.01084 146.9
[M+H-H2O]+ 168.04494 125.3
[M+HCOO]- 230.04588 157.4
[M+CH3COO]- 244.06153 194.8
[M+Na-2H]- 206.02235 145.7
[M]+ 185.04713 135.3
[M]- 185.04823 135.3
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