CID 2804608

3,4-dimethylthiophene-2,5-dicarbonitrile

Structural Information

Molecular Formula
C8H6N2S
SMILES
CC1=C(SC(=C1C)C#N)C#N
InChI
InChI=1S/C8H6N2S/c1-5-6(2)8(4-10)11-7(5)3-9/h1-2H3
InChIKey
KJJOQVQJRGSFGU-UHFFFAOYSA-N
Compound name
3,4-dimethylthiophene-2,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

162.02516 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.03244 150.5
[M+Na]+ 185.01438 159.1
[M+NH4]+ 180.05898 152.2
[M+K]+ 200.98832 149.2
[M-H]- 161.01788 141.0
[M+Na-2H]- 182.99983 150.1
[M]+ 162.02461 148.1
[M]- 162.02571 148.1
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