CID 119915

4-(dicyanomethylene)-2,6-dimethyl-4h-pyran

Structural Information

Molecular Formula
C10H8N2O
SMILES
CC1=CC(=C(C#N)C#N)C=C(O1)C
InChI
InChI=1S/C10H8N2O/c1-7-3-9(4-8(2)13-7)10(5-11)6-12/h3-4H,1-2H3
InChIKey
XYBUCJYJVULPHW-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylpyran-4-ylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

165
Patents

172.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.070936 148.1
[M+Na]+ 195.052878 158.2
[M-H]- 171.056384 152.1
[M+NH4]+ 190.097483 160.8
[M+K]+ 211.026818 155.6
[M+H-H2O]+ 155.060920 133.2
[M+HCOO]- 217.061861 159.5
[M+CH3COO]- 231.077511 213.8
[M+Na-2H]- 193.038326 150.4
[M]+ 172.06311142 140.1
[M]- 172.06420858 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe