CID 606579

1-(dicyanomethylene)-3-iminoisoindoline

Structural Information

Molecular Formula
C11H6N4
SMILES
C1=CC=C2C(=C1)C(=C(C#N)C#N)N=C2N
InChI
InChI=1S/C11H6N4/c12-5-7(6-13)10-8-3-1-2-4-9(8)11(14)15-10/h1-4H,(H2,14,15)
InChIKey
BDXWTIVCFJPDDL-UHFFFAOYSA-N
Compound name
2-(3-aminoisoindol-1-ylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

194.05925 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06653 160.7
[M+Na]+ 217.04847 171.3
[M-H]- 193.05197 162.7
[M+NH4]+ 212.09307 173.7
[M+K]+ 233.02241 165.1
[M+H-H2O]+ 177.05651 144.4
[M+HCOO]- 239.05745 172.3
[M+CH3COO]- 253.07310 167.7
[M+Na-2H]- 215.03392 161.5
[M]+ 194.05870 150.8
[M]- 194.05980 150.8
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