CID 263650

2-(1-thiophen-2-yl-ethylidene)-malononitrile

Structural Information

Molecular Formula
C9H6N2S
SMILES
CC(=C(C#N)C#N)C1=CC=CS1
InChI
InChI=1S/C9H6N2S/c1-7(8(5-10)6-11)9-3-2-4-12-9/h2-4H,1H3
InChIKey
IVSVAOOOAGLVJQ-UHFFFAOYSA-N
Compound name
2-(1-thiophen-2-ylethylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

174.02516 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03244 161.7
[M+Na]+ 197.01438 172.1
[M-H]- 173.01788 166.2
[M+NH4]+ 192.05898 176.7
[M+K]+ 212.98832 168.6
[M+H-H2O]+ 157.02242 146.6
[M+HCOO]- 219.02336 170.5
[M+CH3COO]- 233.03901 212.0
[M+Na-2H]- 194.99983 160.0
[M]+ 174.02461 154.3
[M]- 174.02571 154.3
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