CID 58420906

4-hexylthiophene-2-carbonitrile

Structural Information

Molecular Formula
C11H15NS
SMILES
CCCCCCC1=CSC(=C1)C#N
InChI
InChI=1S/C11H15NS/c1-2-3-4-5-6-10-7-11(8-12)13-9-10/h7,9H,2-6H2,1H3
InChIKey
LFLOKABSZNAYLC-UHFFFAOYSA-N
Compound name
4-hexylthiophene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

193.09251 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09979 139.0
[M+Na]+ 216.08173 149.7
[M+NH4]+ 211.12633 144.9
[M+K]+ 232.05567 139.4
[M-H]- 192.08523 134.1
[M+Na-2H]- 214.06718 141.9
[M]+ 193.09196 138.7
[M]- 193.09306 138.7
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