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]+ 194.063416 149.6
[M+Na]+ 216.045358 159.2
[M-H]- 192.048864 153.6
[M+NH4]+ 211.089963 169.3
[M+K]+ 232.019298 156.3
[M+H-H2O]+ 176.053400 137.4
[M+HCOO]- 238.054341 164.4
[M+CH3COO]- 252.069991 194.4
[M+Na-2H]- 214.030806 149.2
[M]+ 193.05559142 147.2
[M]- 193.05668858 147.2
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.