CID 79404510

2-(thiophene-3-carbonyl)pentanenitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.05614 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.06342 139.1
[M+Na]+ 216.04536 148.6
[M+NH4]+ 211.08996 144.1
[M+K]+ 232.01930 140.0
[M-H]- 192.04886 133.1
[M+Na-2H]- 214.03081 141.2
[M]+ 193.05559 138.2
[M]- 193.05669 138.2
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.