CID 2761189

4-methylthiophene-2-carbonitrile

Structural Information

Molecular Formula
C6H5NS
SMILES
CC1=CSC(=C1)C#N
InChI
InChI=1S/C6H5NS/c1-5-2-6(3-7)8-4-5/h2,4H,1H3
InChIKey
KQMGQUQOZSZRBI-UHFFFAOYSA-N
Compound name
4-methylthiophene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

123.01427 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.02155 119.2
[M+Na]+ 146.00349 130.8
[M+NH4]+ 141.04809 125.9
[M+K]+ 161.97743 121.6
[M-H]- 122.00699 114.5
[M+Na-2H]- 143.98894 123.3
[M]+ 123.01372 119.2
[M]- 123.01482 119.2
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