CID 43670521

2-(3-methylthiophene-2-carbonyl)butanenitrile

Structural Information

Molecular Formula
C10H11NOS
SMILES
CCC(C#N)C(=O)C1=C(C=CS1)C
InChI
InChI=1S/C10H11NOS/c1-3-8(6-11)9(12)10-7(2)4-5-13-10/h4-5,8H,3H2,1-2H3
InChIKey
OPRYCDTXDZOLAL-UHFFFAOYSA-N
Compound name
2-(3-methylthiophene-2-carbonyl)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.05614 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.06342 138.1
[M+Na]+ 216.04536 147.9
[M+NH4]+ 211.08996 143.1
[M+K]+ 232.01930 139.6
[M-H]- 192.04886 132.1
[M+Na-2H]- 214.03081 140.1
[M]+ 193.05559 137.2
[M]- 193.05669 137.2
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

No patent data available for this compound.